Mock Version: 3.5 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target i686 --nodeps /builddir/build/SPECS/nwchem.spec'], chrootPath='/var/lib/mock/fedora-rawhide-i686-1672328704.390349/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.u1g59inv:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.u1g59inv:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'a8d0f8dfe5d0494dbd98000f8da50296', '-D', '/var/lib/mock/fedora-rawhide-i686-1672328704.390349/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.u1g59inv:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target i686 --nodeps /builddir/build/SPECS/nwchem.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: i686 Building for target i686 setting SOURCE_DATE_EPOCH=1658448000 Wrote: /builddir/build/SRPMS/nwchem-7.0.2-11.fc38.src.rpm Child return code was: 0 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target i686 --nodeps /builddir/build/SPECS/nwchem.spec'], chrootPath='/var/lib/mock/fedora-rawhide-i686-1672328704.390349/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.u1g59inv:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=True) Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.u1g59inv:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'b808201786db4b1fb836ccabdc83b4f2', '-D', '/var/lib/mock/fedora-rawhide-i686-1672328704.390349/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.u1g59inv:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target i686 --nodeps /builddir/build/SPECS/nwchem.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: i686 Building for target i686 setting SOURCE_DATE_EPOCH=1658448000 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.Mk0KLp + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + echo 'Patch #0 (python310.patch):' Patch #0 (python310.patch): + /usr/bin/patch --no-backup-if-mismatch -f -p0 --fuzz=0 patching file src/config/makefile.h Hunk #1 succeeded at 2616 (offset -14 lines). patching file src/python/task_python.c Hunk #1 succeeded at 6 (offset 3 lines). + rm -rf src/blas src/lapack + sed -e 's|CORE_SUBDIRS_EXTRA +=.*|CORE_SUBDIRS_EXTRA +=|g' -i src/config/makefile.h + sed -e 's|CORE_SUBDIRS_EXTRA =.*|CORE_SUBDIRS_EXTRA =|g' -i src/config/makefile.h + sed -e 's|-llapack||g' -i src/config/makefile.h + sed -e 's|-lblas||g' -i src/config/makefile.h + sed -e 's|-lnwclapack||g' -i src/config/makefile.h + sed -e 's|-lnwcblas||g' -i src/config/makefile.h + rm -f QA/doqm.bat + rm -f src/config/sngl_to_dbl + rm -f src/config/simpledepend src/config/stripdepend + rm -f src/config/has_blas src/config/has_dblas src/config/has_sblas src/config/show_blas src/config/show_dblas src/config/show_sblas + rm -f src/config/dbl_to_sngl + rm -rf 'src/tools/ga-*' + sed -i 's|-march=native||' src/config/makefile.h + sed -i 's|-mtune=native|-mtune=generic|' src/config/makefile.h + sed -i 's|-mfpmath=sse||' src/config/makefile.h + sed -i 's|-msse3||' src/config/makefile.h + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.KuRrix + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 + echo '# see https://nwchemgit.github.io/Compiling-NWChem.html' + echo export NWCHEM_TARGET=LINUX + echo export CC=gcc + echo export FC=gfortran + echo export USE_ARUR=TRUE + echo export USE_NOFSCHECK=TRUE + echo export USE_NOIO=TRUE + echo export NWCHEM_FSCHECK=N + echo export LARGE_FILES=TRUE + echo export MRCC_THEORY=Y + echo export EACCSD=Y + echo export IPCCSD=Y + echo export CCSDTQ=Y + echo export CCSDTLR=Y + echo export NWCHEM_LONG_PATHS=Y + echo export HAS_BLAS=yes + echo export 'BLASOPT='\''-L/usr/lib -lflexiblas'\''' + echo export 'BLAS_SIZE='\''4'\''' + echo export 'LAPACK_LIB='\''-L/usr/lib -lflexiblas'\''' + echo export MAKE=/usr/bin/make + echo '$MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config.log' + echo 'export MAKEOPTS=""' + echo '$MAKE ${MAKEOPTS} 2>&1' + mv src src.orig + cp -rp src.orig src + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/66/exe ']' +++ /usr/bin/readlink /proc/66/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/openmpi-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export OMPI_MCA_rmaps_base_oversubscribe=1 + OMPI_MCA_rmaps_base_oversubscribe=1 + cd src + cp -p ../settings.sh ../compile_openmpi.sh + echo export USE_MPI=y + echo export USE_MPIF=y + echo export USE_MPIF4=y + echo export MPIEXEC=/usr/lib/openmpi/bin/mpiexec + echo export LD_LIBRARY_PATH=/usr/lib/openmpi/lib + echo export EXTERNAL_GA_PATH=/usr/lib/openmpi + cat ../make.sh + /usr/bin/sed -i 's|.log|_openmpi.log|g' ../compile_openmpi.sh + cat ../compile_openmpi.sh # see https://nwchemgit.github.io/Compiling-NWChem.html export NWCHEM_TARGET=LINUX export CC=gcc export FC=gfortran export USE_ARUR=TRUE export USE_NOFSCHECK=TRUE export USE_NOIO=TRUE export NWCHEM_FSCHECK=N export LARGE_FILES=TRUE export MRCC_THEORY=Y export EACCSD=Y export IPCCSD=Y export CCSDTQ=Y export CCSDTLR=Y export NWCHEM_LONG_PATHS=Y export HAS_BLAS=yes export BLASOPT='-L/usr/lib -lflexiblas' export BLAS_SIZE='4' export LAPACK_LIB='-L/usr/lib -lflexiblas' export MAKE=/usr/bin/make export USE_MPI=y export USE_MPIF=y export USE_MPIF4=y export MPIEXEC=/usr/lib/openmpi/bin/mpiexec export LD_LIBRARY_PATH=/usr/lib/openmpi/lib export EXTERNAL_GA_PATH=/usr/lib/openmpi $MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config_openmpi.log export MAKEOPTS="" $MAKE ${MAKEOPTS} 2>&1 + sh ../compile_openmpi.sh grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX ./util/util_nwchem_version.bash which: no git in (/usr/lib/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) Making libraries in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm 64to32blas; do \ echo Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/$dir ; \ (cd /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/$dir; /usr/bin/make include_stamp) ; \ done Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Nothing to be done Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E ( cd /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/config; /usr/bin/make /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x ; ) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E gcc -g -o /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x depend.c /bin/rm -f depend.o /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/geom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p geom.fh geomP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/inp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p inp.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/pstat grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p pstat.fh pstat_consts.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/rtdb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in hdbm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p hdbm.h /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/task grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/symmetry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p sym.fh ../NWints/auxil/spcartP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in md5 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p checksum.h /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh vtune.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/peigs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p dist.fh yflop.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p bq.fh bq_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/NWints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in simint grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in module grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in source grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in api grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in int grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p sh_order.fh case.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in auxil grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p spcartP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in ints_sp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in deriv grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../int/sh_order.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in texas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p screened_op.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in ecp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ecp_nwc.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in hondo grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in rel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in dk grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/atomscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/ddscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in fast grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/moints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p moints_stats.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwdft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I./include -I./grid -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in input_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in scf_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory cp -p dftps.fh dft_fdist.fh dft_conv.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in scf_dft_cg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in so_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in grid grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in dftgrad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lr_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lr_tddft_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in zora grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in spec grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in rt_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in matutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p matutils.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in rtutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in init grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in canorg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in propagators grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in closedshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in openshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp cp -p ../ddscf/cosmo.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/rimp2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/stepper grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/driver grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/optim grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in deloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mepgs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in tropt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in neb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in string grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cphf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/vib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/mcscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../ddscf -I./detci -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in detci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/prepar grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/esp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/hessian grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in analytic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../../nwdft/include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p hess_info.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/selci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/mp2_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/qhop grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/property grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p prop.fh atomdata.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/solvation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in nwpwlib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in Parallel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p stupid_mpi4.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in D1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in D3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in Pneb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in K1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in C3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in DMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in CMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in TMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in control grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lattice grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in io grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in shake grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p ../../nwpwlib/utilities/beom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in pseudopotential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in paw_atom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in paw_utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p bafdecls.fh btdb.fh beom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in unitcell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in brillouin_zone grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in fractional grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p frac_occ.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in linesearch grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in timing grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ewald grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in thermostats grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in MetaDynamics grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in TAMD grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in FMM grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in md_xs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in FEFF6L grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in nwpwxc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p nwpwxc.fh nwpwxc_param.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp touch include_stamp Making include_stamp in libraryps grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pspw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in exchange-correlation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in vdw-DF grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in sic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in psp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in aorbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in truncating_function grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in pspw_LJ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pspw_Q grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pspw_Pair grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mmq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lcao grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in paw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in paw_geometry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_geom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_ma grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_ma.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_utils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_basis.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_proj grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_proj.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_matrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_comp_charge_matrix.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_ovlp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_ovlp_data.fh paw_ovlp.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_comp_charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_comp_charge_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_special_functions grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_gaunt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_gaunt.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_kinetic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_vloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_vloc_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_ion_potential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_ion_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_core grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_core_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_hartree grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_hartree_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_comp_pot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_mult grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_mult_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_nonlocal grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in paw_density grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in paw_xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_xc.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_force grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_force_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in paw_psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in band grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in structure grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in cpsp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in borbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp touch include_stamp Making include_stamp in ofpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in chi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in WGC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/fft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in pfft1.0 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in fftpack grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pfft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in pfftwrap grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/python grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/analyz grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p nwmd_constants.fh md_common.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cafe grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/space grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/drdy grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/vscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/qmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../util/util_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/etrans grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tce grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I./include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in diis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in diis2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cr-eomccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lrh grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in emb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in qcisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cc3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt1 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cisdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cisdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cr_eomccsd_t_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in sort grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ducc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ucc4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eaccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ipccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_alpha_new grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_alpha grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdtq_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdtq_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: 'include_stamp' is up to date. touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: 'include_stamp' is up to date. Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/mm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p mm.fh mm_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: 'include_stamp' is up to date. Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: 'include_stamp' is up to date. Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dntmc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dangchang grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/ccca grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../basis -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dimqm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p dimqm.fh dimqm_constants.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/64to32blas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making libraries in basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling basis.F... basis.F:2075:62: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2075 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). basis.F:2081:48: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | & rtdb_put(rtdb,tmp,mt_int,ndbs_head,head_array) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) basis.F:2086:53: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2086 | & rtdb,tmp,mt_int,(ndbs_tags*ntags_bsmx), tags_array) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) basis.F:2091:54: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2091 | & rtdb,tmp,mt_int,(ndbs_ucont*nucont_bsmx),ucont_array) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) basis.F:2130:44: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2130 | & rtdb,tmp,mt_int,star_nr_tags,star_nr_excpt) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) basis.F:1124:39: 1124 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2713 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). basis.F:1193:44: 1193 | & rtdb,tmp,mt_int,star_nr_tags,star_nr_excpt) | 1 ...... 2713 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) basis.F:2662:31: 2662 | $ ndbs_head, head_array)) then | 1 ...... 2713 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in geom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling geom.F... geom.F:1105:11: 1101 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1105 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). geom.F:600:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 600 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). geom.F:2406:30: 2406 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3407 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling geom_input.F... geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... geom_numcore.F:106:51: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 106 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:111:54: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 111 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_checksum.F... Compiling geom_print_ecce.F... Compiling geom_freeze.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling geom_fragment.F... Compiling geom_getsym.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling geom_hnd.F... geom_hnd.F:4626:12: 4625 | 120 DO 260 NR=1,N2 | 2 4626 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5059:40: 5059 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5138 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in inp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_inp.c... Compiling hnd_rdfree.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling inp.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling input_parse.F... Compiling input_mem.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling memory_input.F... Compiling input_set.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a Making libraries in pstat grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in rtdb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rtdb_seq.c... rtdb_seq.c:1189:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1189 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:39: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rtdb_f2c.c... rtdb_f2c.c: In function 'rtdb_getfname_': rtdb_f2c.c:170:69: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 170 | (void) fprintf(stderr, "rtdb_fname: mbuf is too small, need=%ld\n",strlen(mbuf)); | ~~^ ~~~~~~~~~~~~ | | | | | size_t {aka unsigned int} | long int | %d Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ Compiling context_f2c.c... Making all in hdbm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hdbm.c... hdbm.c: In function 'datum_fread': hdbm.c:305:58: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 305 | fprintf(stderr, "datum_fread: failed to malloc %lu\n", size); | ~~^ ~~~~ | | | | | size_t {aka unsigned int} | long unsigned int | %u hdbm.c:314:61: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 314 | fprintf(stderr, "datum_fread: failed to read data %lu\n", size); | ~~^ ~~~~ | | | | | size_t {aka unsigned int} | long unsigned int | %u grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a hdbm.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a rtdb_seq.o rtdb_f2c.o rtdb.o context.o context_f2c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in task grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_energy.F... task_energy.F:275:59: 272 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 275 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_gradient.F... task_gradient.F:552:50: 318 | $ numerical)) numerical = .false. | 2 ...... 552 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_gradient.F:185:57: 185 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_gradient.F:199:58: 199 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_gradient.F:202:59: 202 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_optimize.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling task_freq.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_hessian.F... task_hessian.F:250:57: 179 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 250 | if (.not.rtdb_get(rtdb,'stpr_gen:delta',MT_DBL,1,delta_pass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). task_hessian.F:106:58: 106 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 183 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_dynamics.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_thermo.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_et.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling task_save_state.F... Compiling task.F... task.F:174:50: 174 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 572 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling task_vscf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_bsse.F... task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a Making libraries in symmetry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... sym_get_cart.F:74:34: 68 | do j = 1, 4 | 2 ...... 74 | $ amatrix_inv(k,j,geom) | 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_mo_adapt.F:322:30: 321 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 322 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... dctr.f:237:18: 234 | do 20 j=1,4 | 2 ...... 237 | trans(j)=0d0 | 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(4)). Compiling banner.f... Compiling util_print.F... Compiling util_module_avail.F... cp util_v_stub.F util_version.F Compiling util_version.F... Compiling util_nwchem_version.F... ./util_ga_version.bash Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ga_local_mdot.F... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... util_system.c: In function 'util_system_': util_system.c:40:16: warning: unused variable 'Siginit' [-Wunused-variable] 40 | void (*Siginit)(); | ^~~~~~~ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nw_inp_from_file.F... Compiling bgj.F... bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling movecs_ecce.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling get_density.F... Compiling moeig_read.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ga_extra.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_test.F... Compiling util_ga_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util.c... Compiling util_patch_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling util_eaf_test.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling util_scalapack_info.F... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... Compiling linux_setfpucw.c... linux_setfpucw.c:13:20: warning: "/*" within comment [-Wcomment] 13 | /*#define FPSWAMOD /* this modifies fpswa behavior on ia64 */ | grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/openmpi-i386 -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ga_matpow.F... Compiling util_pack.F... util_pack.F:129:28: 72 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 129 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). Compiling dabssum.F... Compiling dabsmax.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... util_rsg.f:102:16: 102 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here util_rsg.f:132:72: 132 | p = g * h | ^ Warning: 'g' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:30: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'g' was declared here util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here Compiling stpr_sjacobi.F... Compiling util_memcpy.c... Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here Compiling util_mirror.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling util_talker.c... util_talker.c: In function 'util_talker_': util_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... Making all in md5 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a md5wrap.o md5.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in peigs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E (/usr/bin/make lib ) || exit 1 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E (cd ./src/c; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ Compiling mgscs.c... Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:257:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 257 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:258:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 258 | fprintf( stderr, " me = %ld recv_num and/or send_num > 1. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:262:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 262 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:263:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 263 | fprintf( stderr, " me = %ld send_cl != cl_num - 1. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:268:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 268 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:269:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 269 | fprintf( stderr, " me = %ld recv_cl != 0. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:325:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 325 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:326:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 326 | fprintf( stderr, " me = %ld Swapping of initial cluster data \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:327:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 327 | fprintf( stderr, " me = %ld does not have a well defined start. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:328:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 328 | fprintf( stderr, " me = %ld clustrinv,mgs cannot handle this. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ clustrxx5.c:128:11: warning: 'myindx' may be used uninitialized [-Wmaybe-uninitialized] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ Compiling pstein4.c... pstein4.c: In function 'pstein4': pstein4.c:158:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] 158 | Integer **piwork, max_sz, sync_proc, numclstr; | ^~~~~~ Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:146:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] 146 | Integer **piwork, max_sz, sync_proc; | ^~~~~~ Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ Compiling b_ortho.c... Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'fil_mapvec_': ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((unsigned int)k * 4)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ Compiling exit.c... Compiling exit2.c... Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling memreq_f.c... Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ Compiling pdspgvx.c... Compiling pdsptri.c... Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling pxerbla.c... Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling tred22.c... Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ Compiling util.c... Compiling xerbla.c... Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling pdiff.c... Compiling pgexit.c... Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 451 | sep = xj - xjm; | ~~~~^~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ Compiling gdot.F... ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpeigs.a (cd ./src/f77; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling inverm.F... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here dstebz3.F:570:39: 570 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:63: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wlu' was declared here dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:572:44: 572 | ELSE IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:72: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here Compiling heapsort.f... Compiling neblw2.F... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling dspevx2.F... Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... (cd ./comm; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mxbrod.F... mxbrod.F:141:72: 141 | dstsrc = mylpos - srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] mxbrod.F:84:20: 84 | integer srcpos | ^ note: 'srcpos' was declared here Compiling mxcombv1.F... mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] Compiling mxsubs.F... mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... (cd ./ctof; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling bortho_f.c... Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... Compiling pdspev_f.c... Compiling pdspevx_f.c... Compiling pdspgv_f.c... Compiling pdspgvx_f.c... Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... rm -f libpeigs.a ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpeigs.a touch peigs_stamp.LINUX Making libraries in perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dist.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a Making libraries in bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling bq_input.F... bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling bq_data.F... Compiling bq_rtdb.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a Making libraries in cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cons_input.F... Compiling cons.F... cons.F:556:20: 556 | > mt_int,1,nfa) | 1 ...... 914 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling cons_utils.F... Compiling cons_springs.F... cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling cons_rtdb.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cons_data.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a Making libraries in NWints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling intgrl_input.F... Making all in simint grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in module grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwcsim_module.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a nwcsim_module.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in source grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a nwcsim_facef90.o nwcsim_hf2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in api grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cando_sp.F... cando_sp.F:294:0: 294 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :10:0: note: this is the location of the previous definition Compiling exact_mem.F... exact_mem.F:70:54: 61 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 70 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :10:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... int_init.F:79:47: 79 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 267 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... intd_2e4c.F:258:33: 258 | call dcopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 563 | call dcopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call dcopy(3,0.0d00,0,roff,1) | 1 ...... 563 | call dcopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call dcopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 563 | call dcopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intd_init.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intbd_2e4c.F:283:29: 227 | call dcopy (numint,eri,1,scr,1) | 2 ...... 283 | call dcopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call dcopy (numint,eri,1,scr,1) | 2 ...... 293 | call dcopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... intbdd_2e4c.F:234:25: 234 | call dcopy (numint,eri,1,scr,1) | 1 ...... 284 | call dcopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... intd_1epot_cosmo.F:140:48: 140 | & scrsize,scr(offset),nint,H1a,efc_c,efc_q,nefc) | 1 Warning: Rank mismatch in argument 'efc_q' at (1) (scalar and rank-1) Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_hf1sp.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ | Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in int grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in auxil grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling do_chk_sum.F... Compiling intb_chk_sum.F... intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... int_spcart.F:824:39: 824 | call dcopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call dcopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call dcopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call dcopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call dcopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call dcopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call dcopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call dcopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call dcopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call dcopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call dcopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call dcopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call dcopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call dcopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call dcopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nmcoef2c.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in ints_sp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling sp1111.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in deriv grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here Compiling hfdkei.F... Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in texas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling abcd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling texas_face.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(4) texas_face.F:1467:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1467 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1556:19: 1556 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (56 vs 336 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (280 vs 336 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (760008 vs 12 bytes) texas_face.F:1761:25: 1761 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (12 vs 760008 bytes) texas_face.F:1921:25: 1921 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (12 vs 760008 bytes) Compiling texas_hf.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) Compiling big_service.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) Compiling assemblx.F... assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) Compiling spec_block.F... spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(4) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(4) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(4) Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(4) Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1611:72: 1611 | fctp= abs( est_ip*est_js ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here precalc2.F:567:72: 567 | fctp= abs( est_ip*est_js ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here precalc2.F:572:72: 572 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling prepint.F... Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(4) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :10:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(4) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(4) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(4) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(4) Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in ecp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ecp_sph_tens.f... Compiling int_ecp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... ecp_cart_xpd.F:117:32: 102 | call dcopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call dcopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in hondo grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hnd_vstat.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bx' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'by' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:40: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ax' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:44: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ay' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:48: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'az' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:66:72: 66 | pz=pz*bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bz' was declared here Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in rel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_rel_init.F... Compiling rel_input.F... rel_input.F:73:64: 46 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 73 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rel_onel.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:207:14: 207 | if (doV) call ecp_matpr(V(i,1),1,n_all_b,1,n_all_a, | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] rel_oneld_cosmo.F:113:17: 113 | logical doV ! compute potential (True/False) | ^ note: 'dov' was declared here Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in dk grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_1edk_ga.F... int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dk_input.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling bas_create_uncont.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a intgrl_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making libraries in atomscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling orderd.F... Compiling atcond.F... Compiling denat.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a Making libraries in ddscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... scf_lindep.F:77:51: 67 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 77 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ga_atom_blk.F... Compiling scf.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling scf_input.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_init.F... Compiling vectors_inp.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling int_1e_ga.F... Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(4)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(4)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_rotate.F... Compiling movecs_molden.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... movecs_lock.F:77:26: 62 | call dcopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call dcopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rohf_canon.F... rohf_canon.F:98:17: 87 | $ zero, g_movecs) | 2 ...... 98 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:17: 87 | $ zero, g_movecs) | 2 ...... 100 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:104:20: 87 | $ zero, g_movecs) | 2 ...... 104 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:106:20: 87 | $ zero, g_movecs) | 2 ...... 106 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:108:20: 87 | $ zero, g_movecs) | 2 ...... 108 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:110:20: 87 | $ zero, g_movecs) | 2 ...... 110 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... scf_get_info.F:361:58: 361 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 548 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... rohf_fock.F:252:25: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 252 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:252:46: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 252 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:266:25: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 266 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:266:46: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 266 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rohf_fock2g.F... Compiling scf_movecs.F... scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... riscf_trans.F:93:61: 61 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 93 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling uhf.F... uhf.F:1494:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 1494 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1172:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1172 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). uhf.F:781:23: 397 | call ga_print(g_movecs) | 2 ...... 781 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:782:23: 397 | call ga_print(g_movecs) | 2 ...... 782 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:862:29: 222 | if (.not. ga_destroy(cuhf_g_falpha)) call errquit | 2 ...... 862 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) uhf.F:886:23: 397 | call ga_print(g_movecs) | 2 ...... 886 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:887:23: 397 | call ga_print(g_movecs) | 2 ...... 887 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1021:23: 397 | call ga_print(g_movecs) | 2 ...... 1021 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1022:23: 397 | call ga_print(g_movecs) | 2 ...... 1022 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1033:23: 397 | call ga_print(g_movecs) | 2 ...... 1033 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1034:23: 397 | call ga_print(g_movecs) | 2 ...... 1034 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1067:32: 397 | call ga_print(g_movecs) | 2 ...... 1067 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling localize.F... localize.F:75:24: 75 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 501 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:77:24: 77 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 597 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:82:24: 82 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 501 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:84:24: 84 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 597 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:123:39: 123 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:133:36: 133 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:142:36: 142 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:192:39: 192 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:202:36: 202 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:211:36: 211 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) Compiling int_dip_ga.F... Compiling fock_xc.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling fock_2e_cam.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_hessv2_ext.F... uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling schwarz_atom.F... Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling int2e_file.F... Compiling ao_replicated.F... ao_replicated.F:977:72: 977 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:905:17: 905 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:977:72: 977 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:905:22: 905 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here Making all in fast grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xlm_poles.F... Compiling cheby.F... Compiling fastj.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here Compiling anlfit.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here Compiling vsint.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling pot_shell.F... pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] Compiling fastj_direct.F... Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:1143:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1143 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). newfmm.F:1143:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1143 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here Compiling potential.F... Compiling sint.F... sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(4) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(4) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a Making libraries in gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling gradients.F... Compiling grad_force.F... grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling ga_reorder.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling grad2.F... Compiling grad_getdens.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a Making libraries in moints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling atwtest.F... Compiling direct_mp2.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mointdriver.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling moints_stats.F... moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_full.F... moints_full.F:856:42: 603 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 856 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_full.F:857:52: 686 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 857 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_full.F:166:55: 166 | $ call errquit('moints: failed to alloc irs ',nmo, MA_ERR) | 1 ...... 759 | call errquit('moints: unknown integral format',0, INPUT_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) moints_full.F:168:55: 168 | $ call errquit('moints: failed to alloc map ',nmo, MA_ERR) | 1 ...... 759 | call errquit('moints: unknown integral format',0, INPUT_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) moints_full.F:186:11: 97 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 186 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). moints_full.F:353:72: 353 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(4) Compiling sifs0.F... Compiling sifs1.F... sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) sifs1.F:2595:23: 455 | call ifill( nndxf(nsym+1), 0, kntin, 1 ) | 2 ...... 2595 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(1)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1728:22: 1728 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(4) to INTEGER(2) moints_aodisk.F:925:23: 925 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_aodisk.F:925:34: 925 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). moints_aodisk.F:999:72: 999 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(4) moints_aodisk.F:999:72: 999 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1168:38: 1168 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1175:41: 1175 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1288:72: 1288 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(4) to INTEGER(2) moints_aodisk.F:1615:29: 1615 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1623:72: 1623 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1575:35: 1575 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1661:29: 1661 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1669:18: 1669 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(4) to INTEGER(2) Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_aux2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a Making libraries in nwdft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwdft.F... nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Making all in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in input_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_inpana.F... dft_inpana.F:1000:23: 991 | if (.not.rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,e_conv)) | 2 ...... 1000 | & mt_int, 1, itol2e)) itol2e=8 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). dft_inpana.F:1020:23: 1004 | & mt_int, 1, itol2e)) | 2 ...... 1020 | & mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_inpana.F:216:53: 216 | if (.not. rtdb_put(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 ...... 1004 | & mt_int, 1, itol2e)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_rdinput.F... dft_rdinput.F:97:52: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 97 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_rdinput.F:204:23: 108 | & mt_log, 1, nodamping)) | 2 ...... 204 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_rdinput.F:496:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 496 | & lcfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:498:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 498 | & mt_log, numfunc, lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:503:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 503 | & nlcfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:505:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 505 | & mt_log, numfunc, nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:510:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 510 | & lxfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:512:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 512 | & mt_log, numfunc, lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:517:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 517 | & nlxfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:519:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 519 | & mt_log, numfunc, nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:524:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 524 | & xccomb))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:526:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 526 | & mt_log, numfunc, xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:818:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 818 | & lcfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:820:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 820 | & mt_log, numfunc, lcfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:825:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 825 | & nlcfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:827:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 827 | & mt_log, numfunc, nlcfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:841:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 841 | & lxfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:843:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 843 | & mt_log, numfunc, lxfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:848:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 848 | & nlxfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:850:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 850 | & mt_log, numfunc, nlxfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:864:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 864 | & xccomb_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:866:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 866 | & mt_log, numfunc, xccomb_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_input.F... dft_input.F:182:53: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 182 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_input.F:467:7: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 467 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:470:7: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 470 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:603:24: 400 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 603 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). dft_input.F:902:52: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 902 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:904:50: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 904 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tol_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling grid_inp.F... grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling xc_inp.F... xc_inp.F:3823:55: 3619 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 3823 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling conv_inp.F... conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). conv_inp.F:389:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 389 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:405:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 405 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cdft_inp.F... cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling occup_input.F... occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in scf_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory Compiling dft_swapab.F... Compiling dft_main0d.F... dft_main0d.F:117:59: 114 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dft_main0d.F:135:50: 129 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 135 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling dft_scf.F... dft_scf.F:268:43: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 268 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_scf.F:364:7: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 364 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:367:7: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 367 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:418:53: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 418 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:709:61: 322 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 709 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf.F:1034:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1034 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1035:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1035 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1036:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1036 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1037:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1037 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1041:61: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1041 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1682:32: 1680 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1681 | call ecce_print1 ('iterative total energy difference', 1682 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf.F:2356:53: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2356 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2358:51: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2358 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_irrep_occp.F... Compiling dft_fockbld.F... dft_fockbld.F:118:42: 113 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 118 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_fockbld.F:407:21: 172 | call ga_zero(g_fock) | 2 ...... 407 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_fockbld.F:410:34: 189 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 410 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_fockbld.F:618:27: 292 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 618 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_scfutil.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_frac_mo.F... dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_nwmolden.F... dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_spinflip.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory Compiling dft_dencvg.F... Compiling dft_densm.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... cdft_util.F:678:72: 678 | $ call errquit('derivatives: cannot allocate gtia)',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) cdft_util.F:733:72: 733 | $ call errquit('cdft_deriv: cannot pop stack',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) cdft_util.F:964:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 964 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in scf_dft_cg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_cscf.F... Compiling dft_cg_answer.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_cg_info.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... dft_cg_solve.F:115:48: 111 | if (.not.rtdb_get(rtdb,'movecs:tanalyze',MT_DBL,1,tanalyze)) | 2 ...... 115 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling dft_roks_fock.F... dft_roks_fock.F:383:72: 383 | $ tol2e, oskel, iv_dens, g_tmp, .false., .false.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:406:72: 406 | $ tol2e, oskel, iv_dens, g_tmp, .false., .true.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling dft_roks_hessv_2e.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... dft_uks_energy.F:209:72: 209 | & oskel, d, g_tmp, .false., .false.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_uks_energy.F:229:72: 229 | & oskel, d, g_tmp, .false., .false.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in so_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_scf_so.F... dft_scf_so.F:311:37: 305 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 311 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_scf_so.F:708:60: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 708 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf_so.F:1290:48: 1254 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1290 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1887:32: 1885 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1886 | call ecce_print1 ('iterative total energy difference', 1887 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf_so.F:2327:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2327 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2352:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2352 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling dft_gradients_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling vectors_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling movecs_anal_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... sym_mo_adapt_so.F:434:30: 433 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 434 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling xc_exso.F... Compiling getv_coul_cd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_3cincor.F... Compiling dft_mem3c.F... Compiling dft_fitcd.F... dft_fitcd.F:91:33: 89 | call dcopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 90 | else 91 | call dcopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:190:25: 89 | call dcopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 190 | call dcopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... xc_util.F:344:57: 313 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 344 | if (.not.rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). xc_util.F:399:54: 391 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 399 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_eval_basis.F... xc_eval_basis.F:2528:20: 1029 | call dcopy(nq, drad, 1, chi, 1) | 2 ...... 2528 | call dcopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:1172:43: 1168 | & rho, delrho, Amat, Cmat, nq, ipol, | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). xc_eval_fnl.F:1172:49: 1168 | & rho, delrho, Amat, Cmat, nq, ipol, | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). xc_eval_fnl.F:1172:56: 1169 | & Ex, qwght,ldew,func) | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). xc_eval_fnl.F:1172:60: 1169 | & Ex, qwght,ldew,func) | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). xc_eval_fnl.F:1173:17: 1169 | & Ex, qwght,ldew,func) | 2 ...... 1173 | & Ex, qwght,ldew,func) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). xc_eval_fnl.F:1173:72: 1173 | & Ex, qwght,ldew,func) | 1 Warning: More actual than formal arguments in procedure call at (1) xc_eval_fnl.F:1798:29: 1798 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:1798:43: 1798 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_fd.F... xc_fd.F:65:72: 65 | & dbl_mb(i_prho), dbl_mb(i_pdelrho)) | 1 Warning: Type mismatch in argument 'npert' at (1); passed LOGICAL(4) to INTEGER(4) Compiling xc_pbe96.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumdt' is used uninitialized [-Wuninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumda' is used uninitialized [-Wuninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:1155:72: 1155 | 8 (fAtden4) | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdt2' was declared here xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at10' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at11' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at3' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at4' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at5' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at6' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at7' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at8' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' was declared here Compiling xc_cm05.F... xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... xc_att_xc.F:91:72: 91 | a2_first = f01*a | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_att_xc.F:36:24: 36 | double precision a, b, c, btmp,bfactor | ^ note: 'a' was declared here xc_att_xc.F:36:24: 36 | double precision a, b, c, btmp,bfactor | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_att_xc.F:108:72: 108 | a3_second = a*f02 | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_att_xc.F:36:24: 36 | double precision a, b, c, btmp,bfactor | ^ note: 'a' was declared here Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_vdw_main.F... xc_vdw_main.F:656:53: 619 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 656 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling xc_vdw_util.F... Compiling xc_xsogga.F... xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:266:72: 266 | fa2 = CxA2 *Ffrac**F2 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa2' was declared here xc_xsogga.F:267:72: 267 | fa3 = CxA3 *Ffrac**F3 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa3' was declared here xc_xsogga.F:268:72: 268 | fa4 = CxA4 *Ffrac**F4 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa4' was declared here xc_xsogga.F:269:72: 269 | fa5 = CxA5 *Ffrac**F5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa5' was declared here xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:272:72: 272 | fb2 = CxB2 *Fexp**F2 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb2' was declared here xc_xsogga.F:273:72: 273 | fb3 = CxB3 *Fexp**F3 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb3' was declared here xc_xsogga.F:274:72: 274 | fb4 = CxB4 *Fexp**F4 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb4' was declared here xc_xsogga.F:275:72: 275 | fb5 = CxB5 *Fexp**F5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_csogga.F... xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:190:72: 190 | fa2 = CcA(2) *Ffrac**F2 | ^ Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[2]' was declared here xc_csogga.F:191:72: 191 | fa3 = CcA(3) *Ffrac**F3 | ^ Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[3]' was declared here xc_csogga.F:192:72: 192 | fa4 = CcA(4) *Ffrac**F4 | ^ Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[4]' was declared here xc_csogga.F:193:72: 193 | fa5 = CcA(5) *Ffrac**F5 | ^ Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[5]' was declared here xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:196:72: 196 | fb2 = CcB(2) *Fexp**F2 | ^ Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[2]' was declared here xc_csogga.F:197:72: 197 | fb3 = CcB(3) *Fexp**F3 | ^ Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[3]' was declared here xc_csogga.F:198:72: 198 | fb4 = CcB(4) *Fexp**F4 | ^ Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[4]' was declared here xc_csogga.F:199:72: 199 | fb5 = CcB(5) *Fexp**F5 | ^ Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[5]' was declared here Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:67:11: 67 | CC00 = 1.00000D+00 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:68:11: 68 | CC01 = 5.07880D-01 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:69:11: 69 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:70:11: 70 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:71:11: 71 | CC10 = 8.60211D-02 | ^ note: 'cc10' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:72:11: 72 | CC11 = -1.71008D+01 | ^ note: 'cc11' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:73:11: 73 | CC12 = 6.50814D+01 | ^ note: 'cc12' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:74:11: 74 | CC13 = -7.01726D+01 | ^ note: 'cc13' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:75:11: 75 | CC20 = -3.90755D-01 | ^ note: 'cc20' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:76:11: 76 | CC21 = 5.13392D+01 | ^ note: 'cc21' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:77:11: 77 | CC22 = -1.66220D+02 | ^ note: 'cc22' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:78:11: 78 | CC23 = 1.42738D+02 | ^ note: 'cc23' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:79:11: 79 | CC30 = 4.03611D-01 | ^ note: 'cc30' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:80:11: 80 | CC31 = -3.44631D+01 | ^ note: 'cc31' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:81:11: 81 | CC32 = 7.61661D+01 | ^ note: 'cc32' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:82:11: 82 | CC33 = -2.41834D+00 | ^ note: 'cc33' was declared here Compiling xc_xscan.F... xc_xscan.F:330:72: 330 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:150:28: 150 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:141:42: 141 | double precision regalpha, dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:277:72: 277 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:29: 145 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:228:72: 228 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:141:31: 141 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:294:72: 294 | dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53) | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:131:32: 131 | double precision p, p14, a, g2 | ^ note: 'a' was declared here xc_xscan.F:319:72: 319 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:139:45: 139 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:325:72: 325 | dFada = -rD*exp5*rC2/oma2*dregalpha | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:139:51: 139 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:333:72: 333 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:155:32: 155 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:332:72: 332 | dFxdr = dFxda*dadr + dFxdp*dpdr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:155:42: 155 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadr' was declared here xc_xscan.F:155:37: 155 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cscan.F... xc_cscan.F:111:33: 111 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:337:72: 337 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:111:26: 111 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:274:72: 274 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:131:31: 131 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_cscan.F:319:72: 319 | dalphadn = 5d0/3d0*(p-alpha)*tueg/((tueg+1d-4)*ntot) | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:28: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here xc_cscan.F:337:72: 337 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:58: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:328:72: 328 | & ntot*(dEc1dn + fca*(dEc0dn-dEc1dn) + dfcadn*(Ec0-Ec1)) | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:49: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:342:72: 342 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:67: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here xc_cscanl.F:361:72: 361 | Lmat(n,2) = Lmat(n,2) + ntot*dfcadt*dtdlb*(Ec0-Ec1) | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdlb' was declared here xc_cscanl.F:355:72: 355 | Amat(n,2) = Amat(n,2) + vcn + ntot*dfcadt*(Ec0-Ec1)*dtdnb | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdnb' was declared here Compiling ts_pc.F... Compiling xc_xncap.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_save_mats.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_frozemb_fde.F:357:41: 357 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:489:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 489 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... dft_utilmap.F:68:41: 68 | integer lo(3),hi(3),ld(2),ld12,offs | ^ Warning: 'offs' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_genutils.F... dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in grid grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... grid_setrad.F:111:58: 41 | & tol_reset)) tol_reset = .true. | 2 ...... 111 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling grid_setang.F... Compiling grid_invariant.F... grid_invariant.F:235:19: 151 | call dcopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call dcopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call dcopy(9,qrot,1,c,1) | 1 ...... 151 | call dcopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_acc_def.F:304:57: 285 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 304 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grid_acc_def.F:557:56: 388 | & job_grid_acc)) | 2 ...... 557 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling grid_qpts.F... Compiling grid_quadv0.F... grid_quadv0.F:599:51: 201 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 599 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:750:60: 188 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 750 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grid_quadv0.F:882:47: 201 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 882 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here Compiling grid_quadv0a.F... grid_quadv0a.F:234:34: 234 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 271 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0a.F:240:9: 240 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:62:27: 62 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here Compiling grid_quadv0b.F... grid_quadv0b.F:279:11: 266 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 279 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grid_quadv0b.F:279:30: 266 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 279 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grid_quadv0b.F:701:28: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 701 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:726:48: 667 | & 0d0,0d0,0d0,0d0, | 2 ...... 726 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:726:53: 667 | & 0d0,0d0,0d0,0d0, | 2 ...... 726 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:734:29: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 734 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:759:29: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 759 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:782:26: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 782 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:431:72: 431 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in dftgrad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... dft_gradients.F:530:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 530 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_gradients.F:557:22: 536 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 557 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_gradients.F:602:34: 600 | call intdd_init(rtdb,2,nmo) | 2 601 | else 602 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:643:33: 641 | call intd_init(rtdb,2,nmo) | 2 642 | else 643 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... dftg_gridv0a.F:139:56: 136 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 139 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dftg_gridv0a.F:154:72: 154 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dftg_gridv0.F... dftg_gridv0.F:188:9: 170 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 188 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dftg_gridv0.F:30:28: 30 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:30:33: 30 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) dftg_gridv0.F:32:72: 32 | 1 0, .false.) | 1 Warning: Type mismatch in argument 'triplet' at (1); passed LOGICAL(4) to INTEGER(4) Compiling dftg_gridv0b.F... dftg_gridv0b.F:310:22: 273 | & natoms, 1,1,1, | 2 ...... 310 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:543:14: 518 | & 0d0,0,3*ncuratoms, | 2 ...... 543 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dftg_griddo.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dftg_cdfit.F... dftg_cdfit.F:30:43: 30 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:30:48: 30 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:30:51: 30 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... Compiling dftg_gridsswold.F... Compiling dftg_signf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in lr_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tddft_energy.F... tddft_energy.F:155:54: 148 | if (.not.rtdb_get(rtdb,'tddft:lanczos',mt_log,1,llanczos)) | 2 ...... 155 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_energy.F:299:56: 201 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 299 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling tddft_input.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_init.F... tddft_init.F:148:55: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 148 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tddft_init.F:195:56: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 195 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:197:57: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 197 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:199:56: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 199 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:201:57: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:203:57: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 203 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:243:52: 233 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 243 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tddft_init.F:375:57: 233 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 375 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:377:55: 233 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 377 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_memory.F... Compiling tddft_iguess.F... tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling tddft_dump.F... Compiling tddft_davidson.F... tddft_davidson.F:260:51: 252 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 260 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... tddft_analysis.F:240:46: 215 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 240 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_analysis.F:1736:53: 1419 | + 1,osc_str)) then | 2 ...... 1736 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1755:40: 1419 | + 1,osc_str)) then | 2 ...... 1755 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1763:40: 1419 | + 1,osc_str)) then | 2 ...... 1763 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... tddft_lanczos.F:143:10: 141 | 1 xc_active_save)) xc_active_save=.false. | 2 142 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 143 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_lanczos.F:147:60: 144 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 147 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_lanczos_tda.F... tddft_lanczos_tda.F:143:10: 141 | 1 xc_active_save)) xc_active_save=.false. | 2 142 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 143 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_lanczos_tda.F:147:60: 144 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 147 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_prod_v.F:159:51: 157 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 158 | & lecut = .false. 159 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in lr_tddft_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tddft_gradient.F... tddft_gradient.F:153:55: 142 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 153 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tddft_gradient.F:471:61: 202 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 471 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tddft_gradient.F:482:49: 142 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 482 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_init.F... tddft_grad_init.F:175:56: 171 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 175 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). tddft_grad_init.F:197:53: 171 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 197 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:407:24: 171 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 407 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_input.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... tddft_grad_compute_r.F:632:60: 176 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 632 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... tddft_grad_solve_product.F:124:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 124 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... tddft_grad_compute_w.F:566:60: 475 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 566 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_grad_compute_w.F:1170:60: 454 | if (.not.nga_create(mt_dbl,3,idim,'vec Puv',ichnk,g_puv)) | 2 ...... 1170 | if (.not.nga_create(mt_dbl,2,idim,"transpose",ichnk,g_t)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_w.F:1192:28: 494 | if (.not.ga_destroy(g_puv)) | 2 ...... 1192 | if (.not.ga_destroy(g_t)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in zora grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_zora_utils.F... dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_utils_so.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_rhos.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:407:0: 407 | #include "zora.fh" ! Added by FA | Warning: extra tokens at end of #include directive dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos_so.F:431:19: 431 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos_so.F:432:19: 432 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling gridNuclearPotential.F... gridNuclearPotential.F:14:0: 14 | #include "global.fh" ! Added for using ga_nodeid() | Warning: extra tokens at end of #include directive gridNuclearPotential.F:75:0: 75 | #include "global.fh" ! Added for using ga_nodeid() | Warning: extra tokens at end of #include directive Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... Compiling zora_getv_sf.F... zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in spec grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_vspec.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in rt_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft.F... rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Making all in matutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pack_ga2buffer.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling matutils.F... matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) Compiling dmat_io.F... dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_diag.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_inv.F... zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_checksum.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_spectral_range.F... zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_max_abs_elem.F... zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in rtutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... rt_tddft_header.F:213:72: 213 | call errquit (pname//"no print options enabled") | 1 Warning: Missing actual argument for argument '_formal_5' at (1) Compiling rt_tddft_output.F... rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_calc.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_geom_mask.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_zdens_tot_movecs.F... Compiling rt_tddft_restart.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_complex_evals.F... rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft_input_put_defaults.F... rt_tddft_input_put_defaults.F:105:20: 63 | $ mt_log,1,.true.)) | 2 ...... 105 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:216:72: 216 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:465:72: 465 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rt_tddft_input_mocap.F... rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_input.F... rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in init grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft_init_coulcdfit.F... Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in canorg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in propagators grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling exp_diag.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling exp_pseries.F... exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in closedshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in openshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a nwdft.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making libraries in rimp2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rimp2_v_e2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a Making libraries in stepper grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). stpr_gh_at.F:372:72: 372 | & call errquit('stpr_gen_hess_at: rtdb_get failed',38) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling stpr_partit.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a Making libraries in driver grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling opt_drv.F... opt_drv.F:3441:23: 3440 | call ga_brdcst(1,ds,8*nvar,0) | 2 3441 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1949:23: 1949 | call ga_brdcst(2,alpha,8,0) | 1 ...... 3440 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2825:50: 2474 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2825 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). opt_drv.F:3675:11: 2474 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3675 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:955:26: 955 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3440 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling oniom.F... oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling lbfgs.F... Compiling lbfgs-b.F... lbfgs-b.F:4401:50: 4399 | do 30 j = 2, n | 2 4400 | temp = -b(j-1) 4401 | call daxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:17: 4399 | do 30 j = 2, n | 2 ...... 4402 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:24: 4399 | do 30 j = 2, n | 2 ...... 4402 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:31: 4399 | do 30 j = 2, n | 2 ...... 4402 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:17: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:24: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:42: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:17: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) 4441 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:24: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) 4441 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:31: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) 4441 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) Compiling lbfgs_driver.F... lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling lbfgs_utils.F... Compiling socket_driver.F... socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a Making libraries in optim grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in deloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling deloc_driver.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling deloc.F... Compiling deloc_utils.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in mepgs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mepgs_drv.F... mepgs_drv.F:1509:56: 1509 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1622:58: 1622 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2539:50: 2539 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). mepgs_drv.F:3238:23: 3237 | call ga_brdcst(1,ds,8*nvar,0) | 2 3238 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1865:54: 1865 | if (.not. rtdb_get(rtdb,'gsopt:hscale',mt_dbl,1,hscale)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1928:26: 1928 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3237 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). mepgs_drv.F:2005:53: 2005 | if (.not. rtdb_get(rtdb,'gsopt:eprec',mt_dbl,1,eprec)) then | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2014:56: 2014 | if (.not. rtdb_get(rtdb,'gsopt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2016:56: 2016 | if (.not. rtdb_get(rtdb,'gsopt:grms_tol',mt_dbl,1,grms_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2018:56: 2018 | if (.not. rtdb_get(rtdb,'gsopt:xmax_tol',mt_dbl,1,xmax_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2020:56: 2020 | if (.not. rtdb_get(rtdb,'gsopt:xrms_tol',mt_dbl,1,xrms_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2032:54: 2032 | if (.not. rtdb_get(rtdb,'gsopt:sadstp',mt_dbl,1,sadstp)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:492:58: 492 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1140 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(4)). mepgs_drv.F:711:54: 711 | if (.not. rtdb_get(rtdb,'gsopt:hscale',mt_dbl,1,hscale)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:3518:58: 3450 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3518 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mepgs_drv.F:249:52: 249 | if (.not. rtdb_get(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:251:54: 251 | if (.not. rtdb_get(rtdb,'mepgs:stride',mt_dbl,1,stride)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:47:58: 47 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:108:56: 108 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a mepgs_drv.o mepgs_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in tropt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tropt_drv.F... tropt_drv.F:2277:11: 1857 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2277 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tropt_drv.F:2799:23: 2798 | call ga_brdcst(1,ds,8*nvar,0) | 2 2799 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:956:26: 956 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 2798 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a tropt_drv.o tropt_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in neb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling neb_input.F... neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling neb_drv.F... neb_drv.F:92:50: 77 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 92 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). neb_drv.F:848:54: 676 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 848 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling neb_utils.F... neb_utils.F:751:54: 715 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 751 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling bead_list.F... bead_list.F:1122:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1122 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in string grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling string.F... string.F:476:58: 472 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 476 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). string.F:1689:33: 595 | call dcopy(ng,coords,1,coords_old,1) | 2 ...... 1689 | call dcopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1722:59: 842 | > mt_int,1,print_count)) | 2 ...... 1722 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a string.o string_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in cphf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cphf.F... Compiling cphf_poliz.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cphf_solve.F... cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cphf_solve2.F... cphf_solve2.F:165:11: 158 | $ lshift)) lshift=0.0 | 2 ...... 165 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cphf_solve2.F:237:61: 234 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 237 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cphf_solve3.F... cphf_solve3.F:226:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 226 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cphf_solve3.F:341:61: 338 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 341 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cphf_solve4.F... cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a Making libraries in ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... aoccsd2.F:521:54: 313 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 521 | if (.not. rtdb_get(rtdb, 'ccsd:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ccsd_iterdrv2.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a Making libraries in vib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling vib_thermo.F... Compiling vib_phonon.F... vib_phonon.F:1126:30: 1124 | call dscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1125 | call zheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1126 | call dscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 583 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) Compiling vib_zone_input.F... vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling vib_input.F... vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vib_callg.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a Making libraries in mcscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mcscf.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling mcscf_b.F... mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_aux.F... mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_ci.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Making all in detci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling detci_aux.F... Compiling detci_intf.F... detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a Making libraries in prepar grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_links.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a Making libraries in esp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling esp_input.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_wrtinp.F... Compiling esp_jacobi.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a Making libraries in hessian grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hess_blas.F... hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_input.F... hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Making all in analytic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hess_anal.F... Compiling hess_init.F... hess_init.F:196:57: 163 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 196 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hess_init.F:237:55: 163 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 237 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_energyinit.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling hess_check.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... onedd_cont.F:191:72: 191 | * doS,doT,doV,geom,basis,ncent,2) | 1 Warning: More actual than formal arguments in procedure call at (1) onedd_cont.F:200:72: 200 | * doS,doT,doV,geom,basis,ncent,1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling get_wdens.F... Compiling onedd_calc.F... Compiling hess_dipder.F... Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call dcopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... Making all in dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_d2expl.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dft_3dacc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a hess_blas.o hess_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a Making libraries in selci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_output.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:108:16: 108 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here tqlrat.f:138:72: 138 | p = g * h | ^ Warning: 'g' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:30: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'g' was declared here tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling popcnt32.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:265:23: 187 | call ifill(nuw,0,u,1) | 2 ...... 265 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to LOGICAL(1) Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:186:26: 168 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 186 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). davids.F:102:72: 102 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(4) davids.F:102:72: 102 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(4) Compiling sigma.F... Compiling conf.F... conf.F:467:72: 467 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(4) conf.F:467:72: 467 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(4) conf.F:173:54: 117 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 173 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). conf.F:58:72: 58 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(4) conf.F:62:72: 62 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(4) conf.F:62:72: 62 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(4) conf.F:67:72: 67 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(4) conf.F:67:72: 67 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(4) Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... selci_select.F:47:24: 45 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 46 | call ga_brdcst(9,iwpt,mitob(1),0) 47 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). selci_select.F:124:25: 45 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 124 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling selci.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ptidy.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a Making libraries in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dplot.F... dplot.F:106:52: 86 | & lgaussian)) then | 2 ...... 106 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dplot.F:447:72: 447 | Call dcopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ note: 'atom_off' was declared here Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... dplot_input.F:297:58: 293 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 297 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ao_rdm_read.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_diffden.F... get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a Making libraries in mp2_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mp2_grad.F... mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_energy.F... mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mp2_grad_doit.F... mp2_grad_doit.F:143:50: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 1 ...... 560 | $ MT_INT, 1, mp2_eaftype)) mp2_eaftype= | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mp2_back_transform.F... mp2_back_transform.F:376:55: 373 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 376 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mp2_back_transform.F:88:41: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shdim' at (1) (rank-1 and scalar) mp2_back_transform.F:88:47: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shlo' at (1) (rank-1 and scalar) mp2_back_transform.F:88:53: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shpairs' at (1) (rank-2 and scalar) mp2_back_transform.F:88:59: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shpairslocal' at (1) (rank-2 and scalar) mp2_back_transform.F:88:65: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'map' at (1) (rank-1 and scalar) Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_wijab_uhf.F... mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_lai_uhf.F... mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mp2_make_tuhf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a Making libraries in qhop grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qhop_setup.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qhop_pindex.F... Compiling qhop_final.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a Making libraries in property grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hnd_efgmap.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_efgmap.F:250:49: 248 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 249 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 250 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_efgmap_z4.F... hnd_efgmap_z4.F:24:0: 24 | #include "msgids.fh" ! Added by FA - for NLMO analysis | Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:25:0: 25 | #include "zora.fh" ! Added by FA | Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:926:0: 926 | #include "msgids.fh" ! Added by FA - for tag msg_efgs_col | Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elfmap.F... hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elpmap.F... hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... hnd_elfcon_symm.F:35:0: 35 | #include "zora.fh" ! for lbl_nlmo | Warning: extra tokens at end of #include directive Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here Compiling prop_input.F... prop_input.F:848:43: 830 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 848 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). prop_input.F:390:26: 390 | if (inp_f(iso)) then | 1 ...... 838 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling prop.F... prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... wefgfile.F:49:0: 49 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive Compiling whypfile.F... whypfile.F:58:0: 58 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling wgshiftfile.F... wgshiftfile.F:58:0: 58 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here Compiling wshldfile.F... wshldfile.F:51:0: 51 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling giaofock.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here Compiling hnd_giaox.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_hyperfine_zora.F... hnd_hyperfine_zora.F:764:0: 764 | #include "zora.fh" ! for num NMRCS-Z4 | Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:849:0: 849 | #include "zora.fh" ! for hyperfine | Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here Compiling hnd_gshift_zora.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_coul' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_exch' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_nojk' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5204:72: 5204 | par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_esji' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:44: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_esji' was declared here hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here Compiling hnd_giaox_zora.F... hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_giao_1ega.F... int_giao_1ega.F:146:10: 146 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:160:72: 160 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... Compiling hnd_spinspin.F... hnd_spinspin.F:299:54: 291 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 299 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aoresponse_driver_new.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling int_mpole_1ega.F... Compiling aoresponse.F... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling aoresponse_beta.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling fiao_f1_movecs.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling aor_r1_tensor.F... aor_r1_tensor.F:390:72: 390 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:127:52: 127 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_tensor_giao.F... Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:354:26: 216 | & mt_int, 1,ndata)) call | 2 ...... 354 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling fiao_b1_movecs.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling aoresponse_giao_rhs.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling get_alfaorbeta_reim.F... get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling CalcPerturbedTDPmat1.F... Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... localization_driver.F:348:53: 199 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 348 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:394:53: 199 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 394 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... giao_b1_movecs_tools.F:75:60: 61 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 2 ...... 75 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... task_raman.F:521:51: 483 | & rmmodes*4, rminfo)) | 2 ...... 521 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_raman.F:740:72: 740 | & call errquit(pname//'geom_rtdb_store failed',5) | 1 Warning: Missing actual argument for argument '_formal_21' at (1) task_raman.F:780:72: 780 | & call errquit(pname//'geom_rtdb_store failed',5) | 1 Warning: Missing actual argument for argument '_formal_21' at (1) task_raman.F:83:57: 83 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 714 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). task_raman.F:152:53: 152 | if (.not. rtdb_get(rtdb,'raman:width',mt_dbl,1,width)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:154:57: 154 | if (.not. rtdb_get(rtdb,'raman:step_size',mt_dbl,1,step_size)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:158:51: 158 | if (.not. rtdb_get(rtdb,'raman:low',mt_dbl,1,low)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:160:52: 160 | if (.not. rtdb_get(rtdb,'raman:high',mt_dbl,1,high)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:191:14: 191 | G gamwidth) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling raman_input.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling raman.F... raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). raman.F:1160:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1160 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling waimfile.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling hnd_eldmap_grid.F... hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling prop_moldenfile.F... Compiling prop_grid.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling prop_polfromsos.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a Making libraries in solvation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mnsol_mem.F... Compiling mnsol_interface.F... mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mnsol.F... mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(4) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(4) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(4) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(4) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling hnd_cosmo_lib.F... hnd_cosmo_lib.F:722:55: 719 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 722 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_cosmo_lib.F:2167:46: 691 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 2167 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_cosmo_lib.F:2411:72: 2411 | 1 x(i40),x(i50),ierr,nodcmp) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) hnd_cosmo_lib.F:2427:72: 2427 | 1 x(i40),x(i50),ierr,nodcmp) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) hnd_cosmo_lib.F:2788:53: 719 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 2788 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cosmo_input.F... cosmo_input.F:176:51: 172 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 176 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cosmo_initialize.F... cosmo_initialize.F:164:34: 162 | call ga_brdcst(msg_cosmo0,nmap, | 2 163 | > ma_sizeof(mt_int,1,mt_byte),0) 164 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cosmo_initialize.F:300:52: 291 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd) | 2 ...... 300 | status = rtdb_get(rtdb,'cosmo:rsolv',mt_dbl,1,rsolv) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cosmo_initialize.F:353:54: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 353 | if (.not. rtdb_put(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:355:57: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 355 | if (.not. rtdb_put(rtdb,'cosmo:dielecinf',mt_dbl,1,dielecinf)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:357:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 357 | if (.not. rtdb_put(rtdb,'cosmo:sola',mt_dbl,1,sola)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:359:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 359 | if (.not. rtdb_put(rtdb,'cosmo:solb',mt_dbl,1,solb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:361:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 361 | if (.not. rtdb_put(rtdb,'cosmo:solc',mt_dbl,1,solc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:363:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 363 | if (.not. rtdb_put(rtdb,'cosmo:solg',mt_dbl,1,solg)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:365:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 365 | if (.not. rtdb_put(rtdb,'cosmo:solh',mt_dbl,1,solh)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:367:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 367 | if (.not. rtdb_put(rtdb,'cosmo:soln',mt_dbl,1,soln)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:369:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 369 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cosmo_initialize.F:453:53: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 453 | $ rtdb_put(rtdb,'cosmo:disp_cosmo_vem',mt_dbl,1,disp_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... cosmo_def_radii.F:270:52: 264 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 270 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling cosmo_charges.F... cosmo_charges.F:100:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 100 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cosmo_charges.F:336:72: 336 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:256:19: 256 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here Compiling grad_hnd_cos.F... grad_hnd_cos.F:176:23: 167 | $ dbl_mb(k_rad)) | 2 ...... 176 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grad_hnd_cos.F:125:47: 125 | double precision rin, rout, alphai, xyzff | ^ Warning: 'xyzff' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:114:28: 114 | double precision zeta1, zeta2, zeta12 | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o hnd_cosmo_lib.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a Making libraries in nwpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_input.F... nwpw_input.F:421:53: 335 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 421 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). nwpw_input.F:1332:33: 1327 | > mt_int,2,loop)) then | 2 ...... 1332 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). nwpw_input.F:1340:33: 1327 | > mt_int,2,loop)) then | 2 ...... 1340 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1495:62: 1327 | > mt_int,2,loop)) then | 2 ...... 1495 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1648:56: 1327 | > mt_int,2,loop)) then | 2 ...... 1648 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_default.F... nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nwpw_vectors_input.F... nwpw_vectors_input.F:219:51: 133 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 219 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:238:51: 133 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 238 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Making all in nwpwlib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in Parallel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling Parallel.F... Parallel.F:747:19: 626 | call dcopy(n,a,1,b,1) | 2 ...... 747 | call dcopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:811:23: 626 | call dcopy(n,a,1,b,1) | 2 ...... 811 | call dcopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling Parallel-mpi.F... Parallel-mpi.F:577:28: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 577 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:577:34: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 577 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:775:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 775 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:812:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 812 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:812:30: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 812 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:815:19: 778 | call dcopy(n,sumall(1),1,sum,1) | 2 ...... 815 | call dcopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Parallel-mpi.F:865:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 865 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:910:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 910 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:910:30: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 910 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1064:24: 1019 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1064 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1110:24: 1019 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1110 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1609:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1609 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1778:24: 1019 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1778 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:2099:27: 1968 | call MPI_IRECV(A2, | 2 ...... 2099 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:2117:27: 1984 | call MPI_ISEND(A1, | 2 ...... 2117 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:2261:20: 2218 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2261 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:2392:20: 2341 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2392 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in D1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling D1dB.F... Compiling Dne.F... Dne.F:3111:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3111 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3114:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3114 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2891:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2891 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2894:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2894 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3076 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3083 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1685:47: 1685 | call dcopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1823 | call dcopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1712:39: 1712 | call dcopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1823 | call dcopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2195:56: 2047 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2195 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2316:52: 2113 | call dscal(ne(ms),sum,U(shift),1) | 2 ...... 2316 | call dscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:5107:46: 4132 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 2 ...... 5107 | > U(indxk), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:5108:46: 4132 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 2 ...... 5108 | > dcpl_mb(A(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:5291:46: 5111 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5291 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6579:22: 4870 | > A(shift2), | 2 ...... 6579 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Dne.F:7712:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7712 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7719:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7719 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7734:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7734 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7741:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7741 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7134:72: 7134 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7089:23: 7089 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling D1dB-mpi.F... D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in D3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling D3dB-new.F... D3dB-new.F:1013:61: 987 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1013 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1074:61: 1047 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1074 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1074:63: 1047 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1074 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1698:72: 1698 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1707:72: 1707 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1793:72: 1793 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1799:72: 1799 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1828:31: 1703 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1845:31: 1590 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1845 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2236:72: 2236 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2396:72: 2396 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2478:31: 2234 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2478 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2495:31: 2291 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2495 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:126:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 126 | int start,direction; | ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:269:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 269 | return direction; | ^~~~~~~~~ hilbert.c:151:9: note: 'direction' was declared here 151 | int direction,parent_direction, | ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... D3dB_pfft.F:4013:35: 3757 | call dcopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4013 | call dcopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2610:24: 2610 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2688 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2610:31: 2610 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2688 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2948:27: 2948 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3065 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2948:34: 2948 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3065 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3463:27: 3463 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3579 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3463:34: 3463 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3579 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3823:24: 3749 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3823 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3823:31: 3749 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3823 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dB-mpi.F... D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:884:28: 795 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 884 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:884:40: 795 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 884 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:952:25: 795 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 952 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1135:17: 669 | call dcopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1135 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1136:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1136 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3263:29: 2772 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3263 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3318:29: 2820 | call MPI_RECV(tmp, | 2 ...... 3318 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3907:72: 3907 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3907:72: 3907 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4147:72: 4147 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4147:72: 4147 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4864:30: 4277 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4864 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5168:72: 5168 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5168:72: 5168 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6113:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6113 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6114:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6114 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:7043:27: 1627 | call MPI_ISEND(A(indx), | 2 ...... 7043 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in Pneb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling Pneb.F... Pneb.F:1460:55: 1459 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 1460 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1044:51: 1044 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 2522 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:820:31: 792 | call dcopy(2*nsize,0.0d0,0,w,1) | 2 ...... 820 | call dcopy(nsize,0.0d0,0,m,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1328:25: 792 | call dcopy(2*nsize,0.0d0,0,w,1) | 2 ...... 1328 | call dcopy(2*nsize,hml,1,gml,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:1385:25: 792 | call dcopy(2*nsize,0.0d0,0,w,1) | 2 ...... 1385 | call dcopy(2*nsize,hml,1,gml,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Pneb.F:1988:72: 1988 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1988:72: 1988 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1988:31: 1988 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:1990:72: 1990 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1994:72: 1994 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1994:72: 1994 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1994:31: 1994 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2245:35: 2245 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 3501 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2245:51: 2245 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 3501 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2424:72: 2424 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2424:72: 2424 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2424:29: 2424 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:3478:72: 3478 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Pneb.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in K1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a K1dB.o K1dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in C3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling C3dB-new.F... C3dB-new.F:841:40: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 841 | call dcopy(n2ft3d_map(nb),0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:861:34: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 861 | call dcopy(2*nfft3d_map(nb),A,1,B,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). C3dB-new.F:873:32: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 873 | call dcopy(n2ft3d_map(nb),A,1,B,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-new.F:885:32: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 885 | call dcopy(nfft3d_map(nb),A,1,B,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-new.F:2035:35: 2009 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2035 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-new.F:2037:35: 2008 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2037 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). C3dB-new.F:3310:39: 3254 | call C3dB_Vector_SumAll(2,sum) | 2 ...... 3310 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:657:24: 470 | call dcopy(2*msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 657 | call dcopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:658:24: 471 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 658 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:681:27: 494 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 681 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:26: 526 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:826:28: 783 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 826 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:826:40: 783 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 826 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:886:25: 783 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 886 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2737:29: 2471 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2737 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2785:29: 2519 | call MPI_RECV(tmp, | 2 ...... 2785 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2893:72: 2893 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:2893:72: 2893 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3302:30: 3021 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 3302 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in DMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1616:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1662:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1662 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1867:25: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1867 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1867:31: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1867 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1918:25: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1918 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1918:31: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1918 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:2674:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 2674 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:2719:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 2719 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a DMatrix.o DMatrix-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in CMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:801:45: 282 | call dcopy(ne0,0.0,0,Bcol(1+(j-1)*ne0),1) | 2 ...... 801 | call dcopy(2*nc(taskid_j+1)*iwrk,0.0d0,0,work2,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). CMatrix-mpi.F:1269:26: 924 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 ...... 1269 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1482:27: 282 | call dcopy(ne0,0.0,0,Bcol(1+(j-1)*ne0),1) | 2 ...... 1482 | call dcopy(n,0.0d0,0,work1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1522:25: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1522 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1522:31: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1522 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1573:25: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1573 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1573:31: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1573 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1612:27: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1612 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1612:31: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1612 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1857:53: 1857 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:1857:59: 1857 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a CMatrix.o CMatrix-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in TMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling dscal_omp.F... Compiling ffm_multiply_omp_group.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in control grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling control.F... control.F:4738:47: 4738 | > btdb_get(rtdb,rtdb_name,mt_int,1,num_kvectors) | 1 ...... 4796 | > dbl_mb(kvs(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). control.F:1531:54: 1531 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:286:60: 59 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 286 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). control.F:640:22: 640 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1030:22: 1030 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1068:22: 1068 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1144:25: 1144 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1148:58: 1148 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1162:28: 1162 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1166:58: 1166 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1172:22: 1172 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2507:19: 2507 | call dcopy(9,unita_in,1,unita,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2516:52: 2516 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2535:19: 2535 | call dcopy(9,unita,1,unita_out,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2566:19: 2566 | call dcopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2575:52: 2575 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling psi_get_ne.F... psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_get_version.F... Compiling psi_get_header.F... psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_get_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_check_header.F... rho_check_header.F:57:25: 56 | call iread(4,version,1) | 2 57 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:79:52: 69 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 79 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_psp_type.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in lattice grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lattice.f... lattice.f:1160:19: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1160 | call dcopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1165 | call dcopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1335:26: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1335 | call dcopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1409:26: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1409 | call dcopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1542:24: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1542 | call dcopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mask_init.F... Compiling pack.F... pack.F:2342:66: 2296 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2342 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2342:68: 2296 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2342 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 619 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:681:24: 680 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 681 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cloak.F... Compiling cram.F... cram.F:223:26: 223 | call dcopy(2*nfft3d,0.0d0,0,A,1) | 1 ...... 1384 | call dcopy(2*(int_mb(nidb2_list(1)+nb)),A,1,B,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 352 | call dcopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 ...... 1384 | call dcopy(2*(int_mb(nidb2_list(1)+nb)),A,1,B,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:981:45: 741 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 981 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1288:42: 1045 | sum = ddot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1288 | sum = ddot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1288:49: 1045 | sum = ddot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1288 | sum = ddot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling balance.F... balance.F:482:24: 415 | > A(indx), | 2 ...... 482 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). balance.F:500:24: 433 | > A(indx), | 2 ...... 500 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_balance.F... c_balance.F:456:24: 390 | > A(indx), | 2 ...... 456 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:474:24: 408 | > A(indx), | 2 ...... 474 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in io grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a compressed_io.o nwpw_message.o second.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling center.f... Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... ion.F:4791:27: 4640 | call dcopy(N,0.0d0,0,G1,1) | 2 ...... 4791 | call dcopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:114:56: 114 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4446 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). ion.F:390:57: 390 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4409 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). ion.F:3035:26: 3035 | call dcopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4640 | call dcopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling seperate_pointcharge.F... seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling ion_scaling_atoms.F... Making all in shake grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... Compiling pspw_atom.c... Compiling pspw_bond.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in pseudopotential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ Compiling carter_parse.c... carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ Compiling get_word.c... Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling schrodin.c... Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:346:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 346 | node, | ^~~~ Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling hamann.c... Compiling troullier.c... troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... Compiling gaussj.c... Compiling vanderbilt.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ Making all in paw_atom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:342:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 342 | node, | ^~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_kinetic_energy.c... Compiling paw_potential.c... Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling auto_corr.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling simp.F... Compiling is_sORd.F... Compiling psi_filefind.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... cpsi_data.F:527:36: 286 | call dcopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 527 | call dcopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ Compiling nwpw_expression.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... nwpw_cosmo.F:67:55: 57 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 2 ...... 67 | if (.not.btdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Making all in paw_utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call dcopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call dcopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4094:72: 4094 | call dcopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4294:72: 4294 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:44: 4191 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4296:72: 4296 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:47: 4191 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4298:72: 4298 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:50: 4191 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4546:72: 4546 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:33: 4462 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4548:72: 4548 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:36: 4462 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4550:72: 4550 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:39: 4462 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:5243:72: 5243 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:44: 5153 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5244:72: 5244 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:47: 5153 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5245:72: 5245 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:50: 5153 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling nwpw_xc.F... Compiling nwpw_vosko.F... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... Compiling nwpw_gauss_weights.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in unitcell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a simulation_cell_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in brillouin_zone grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling brillouin_zone_input.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling brillioun.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a brillouin_zone_input.o brillioun.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in fractional grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling fractional.F... Compiling frac_occ_input.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling frac_occ.F... frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in linesearch grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling linesearch.F... Compiling Order_Values.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a linesearch.o Order_Values.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in timing grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_timing.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_timing.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in ewald grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ewald.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:948:52: 792 | > dcpl_mb(s(1))) | 2 ...... 948 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1184:39: 364 | call dcopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1184 | call dcopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1132:23: 1132 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1699:23: 1699 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2260:23: 2260 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] Compiling ewald_strfac.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ewald.o ewald_strfac.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in thermostats grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nose-hoover.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in MetaDynamics grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling metadynamics_input.F... metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) Compiling metadynamics.F... metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in TAMD grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tamd_input.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tamd.F... tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a tamd_input.o tamd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in FMM grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a fmm.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in md_xs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling md_xs_input.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_xs.F... md_xs.F:1116:30: 994 | call dcopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call dcopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_xs.F:271:13: 271 | if (mc_algorithm.eq.0) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here Making all in FEFF6L grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling feff6Lib.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a feff6Lib.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a md_xs_input.o md_xs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in nwpwxc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nwpwxc_vdw3d.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3a.F:1775:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1775 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1776:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1776 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1777:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1777 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dmp,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2363:41: 1778 | if (np.gt.1) call GA_IGOP(9+MSGINT,icomp,n*n,'+') | 2 ...... 2363 | if (np.gt.1) call GA_IGOP(9+MSGINT,iabccalc,n*(n+1)/2,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/INTEGER(2)). nwpwxc_vdw3a.F:2448:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2448 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2449:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2449 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r3abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2450:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2450 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2451:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2451 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:2554:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2554 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2555:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2555 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2595:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2595 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:1839:24: 1839 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ Warning: 'e6' is used uninitialized [-Wuninitialized] nwpwxc_vdw3a.F:387:19: 387 | if(minc6.and.j.lt.1)then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:120:17: 120 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'j' was declared here nwpwxc_vdw3a.F:390:19: 390 | if(maxc6.and.k.lt.1)then | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:120:19: 120 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'k' was declared here Compiling nwpwxc_vdw3b.F... nwpwxc_vdw3b.F:1332:6: 1332 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxc_vdw3b.F:1137:9: 1137 | if(nl.lt.2)then | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ note: 'nl' was declared here Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ nwpwxcP_xc_b97.c:642:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ Compiling nwpwxc_x_b97.F... Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... Compiling nwpwxc_c_scan.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in libraryps grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_library.F... nwpw_library.F:155:72: 155 | keyread=line(sqptr_l+1:sqptr_r-1) | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in pspw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_pspw.F... Making all in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dipole.F... Compiling orthocheck.f... Compiling psi.F... psi.F:2540:39: 2317 | > rho,dbl_mb(rho_ptr)) | 2 ...... 2540 | > dcpl_mb(psi1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:2541:39: 2317 | > rho,dbl_mb(rho_ptr)) | 2 ...... 2541 | > dcpl_mb(psi2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3260:42: 1488 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 3260 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3373:32: 3373 | call dcopy(3*n2ft3d,0.0d0,dbl_mb(rho(1)),1) | 1 ...... 5305 | call dcopy((ne(1)+ne(2)),dbl_mb(occ2(1)),1,dbl_mb(occ1(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). psi.F:3373:47: 3373 | call dcopy(3*n2ft3d,0.0d0,dbl_mb(rho(1)),1) | 1 ...... 5305 | call dcopy((ne(1)+ne(2)),dbl_mb(occ2(1)),1,dbl_mb(occ1(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). psi.F:4755:52: 1402 | > 2*npack1,dcpl_mb(etmp(1))) | 2 ...... 4755 | > 2*nfft3d,dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6397:17: 2237 | > dcpl_mb(psi_ptr+(n-1)*npack1),1, | 2 ...... 6397 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6397:35: 2238 | > Horb,1) | 2 ...... 6397 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:7212:50: 6544 | > mt_log,1,psi_nogrid)) | 2 ...... 7212 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). psi.F:7790:34: 3270 | call D3dB_rr_dot(1,dbl_mb(rho1(1)),dbl_mb(vltmp(1)),esum) | 2 ...... 7790 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:7790:51: 3270 | call D3dB_rr_dot(1,dbl_mb(rho1(1)),dbl_mb(vltmp(1)),esum) | 2 ...... 7790 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:6908:72: 6908 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:6853:42: 6853 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Grassman.F:805:21: 142 | call dcopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call dcopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call dcopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call dcopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_dmatrix.F... psi_dmatrix.F:338:20: 222 | call dcopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call dcopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call dcopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call dcopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_write.F... psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_write.F... rho_write.F:89:26: 88 | call iwrite(6,version,1) | 2 89 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:85:25: 84 | call iread(5,version,1) | 2 85 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_write.F... v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... psi_new.F:126:42: 122 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 126 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling berry_phase_pol.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling psi_H.F... psi_H.F:513:34: 338 | call dcopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 513 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_Hv4.F... psi_Hv4.F:106:34: 102 | call dcopy((ne(1)+ne(2))*n2ft3d,0.0d0,0,dbl_mb(Hpsi_r(1)),1) | 2 ...... 106 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(vall(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling electron.F... electron.F:1977:25: 1748 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 1977 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:1977:41: 1749 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1977 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:247:44: 247 | call dcopy(2*(npack1)*(neq(1)+neq(2)),psi1,1,psi2,1) | 1 ...... 1804 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:247:51: 247 | call dcopy(2*(npack1)*(neq(1)+neq(2)),psi1,1,psi2,1) | 1 ...... 1804 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:427:22: 427 | > dbl_mb(xce(1)), | 1 ...... 683 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2077:29: 2052 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2077 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2251:26: 1804 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 2251 | call dcopy(4*nfft3d,vall_in,1,dbl_mb(vall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) electron.F:2343:51: 1888 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2343 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a psi_H.o psi_Hv4.o electron.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ke.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ke.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling coulomb.F... Compiling coulomb2.F... coulomb2.F:355:34: 65 | call dcopy(nfft3d,0.0d0,0,dbl_mb(gk(1)),1) | 2 ...... 355 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(tmpx(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb2.F:366:27: 280 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 366 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling coulomb_screened.F... coulomb_screened.F:73:32: 72 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 73 | call dcopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:660:72: 660 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:910:24: 72 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 910 | call dcopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:939:32: 139 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 939 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_screened_small.F... coulomb_screened_small.F:73:32: 72 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 73 | call dcopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_filter.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in exchange-correlation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... Compiling v_mexc.F... Compiling v_bwexc.F... v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling v_bwexc_euv.F... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:392:72: 392 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling nwpw_meta_gga.F... nwpw_meta_gga.F:158:34: 42 | call dcopy(2*n2ft3d,0.0d0,0,dbl_mb(dfdtau(1)),1) | 2 ...... 158 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(dpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:283:36: 184 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 283 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... Compiling b3lyp.F... Compiling bnl2007_x.F... Compiling hsepbe.F... Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling pw91c.f... Compiling pbe96c.f... Making all in vdw-DF grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vdw-DF.F... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) Compiling vdw_DF_kernel.F... Compiling vdw_DF_get_qmesh_filename.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o pw91c.o pbe96c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in sic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_sic.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_hfx.F... pspw_hfx.F:95:37: 45 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 95 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call dcopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_hfx.o pspw_hfx_localized.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ion_ion.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ion_ion.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in psp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling MOTION.F... Compiling psp.F... psp.F:3998:22: 3996 | call iread(5,psp_type,1) | 2 3997 | call iread(5,version,1) 3998 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4001:22: 3999 | call dread(5,unita,9) | 2 4000 | call cread(5,atom,2) 4001 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4002:22: 3999 | call dread(5,unita,9) | 2 ...... 4002 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4012:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4012 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4013:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4013 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4014:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4014 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4015:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4015 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4024:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4024 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4031:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4031 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4036:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4036 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4038:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4038 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4057:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4057 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4058:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4058 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4059:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4059 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4060:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4060 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4082:40: 3999 | call dread(5,unita,9) | 2 ...... 4082 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4083:22: 3999 | call dread(5,unita,9) | 2 ...... 4083 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4086:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4086 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4088:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4088 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4132:45: 3999 | call dread(5,unita,9) | 2 ...... 4132 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4133:45: 3999 | call dread(5,unita,9) | 2 ...... 4133 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4136:37: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4136 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4138:37: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4138 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4143:24: 3999 | call dread(5,unita,9) | 2 ...... 4143 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4144:24: 3999 | call dread(5,unita,9) | 2 ...... 4144 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4145:24: 3999 | call dread(5,unita,9) | 2 ...... 4145 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4146:24: 3999 | call dread(5,unita,9) | 2 ...... 4146 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4147:24: 3999 | call dread(5,unita,9) | 2 ...... 4147 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4152:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4152 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4153:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4153 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4154:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4154 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4155:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4155 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4156:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4156 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4174:45: 3996 | call iread(5,psp_type,1) | 2 ...... 4174 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4175:60: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4175 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4177:45: 3996 | call iread(5,psp_type,1) | 2 ...... 4177 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4178:60: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4178 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4180:45: 3996 | call iread(5,psp_type,1) | 2 ...... 4180 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4181:60: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4181 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1965:55: 1965 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3294 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2041:42: 1884 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2041 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2616:36: 218 | call dcopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2616 | call dcopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4471:72: 4471 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp.F:2028:72: 2028 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1918:41: 1918 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:2030:72: 2030 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1918:41: 1918 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2032:72: 2032 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1918:41: 1918 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:3203:72: 3203 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2898:18: 2898 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here psp.F:3205:72: 3205 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2898:18: 2898 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3207:72: 3207 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2898:18: 2898 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here Compiling psp_olddebug.F... psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call dcopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call dcopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here paw.F:3461:72: 3461 | rholm_ae(ig,ms,lm) = taunt*rholm_ae(ig,ms,1) | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] paw.F:3420:23: 3420 | real*8 wij,taunt | ^ note: 'taunt' was declared here Compiling psp_stress.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling semicore.F... semicore.F:549:32: 525 | call dcopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call dcopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling semicore_force.F... Compiling psp_U.F... psp_U.F:823:72: 823 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:815:38: 815 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:823:72: 823 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:815:38: 815 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here Compiling psp_ld.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs2.F... pspw_lmbfgs2.F:83:32: 59 | call dscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call dscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs3.F... pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_diis.F... pspw_diis.F:78:26: 25 | call dcopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call dcopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call dcopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call dcopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pspw_rmmdiis.F... pspw_rmmdiis.F:144:41: 66 | call daxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call daxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in aorbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a aorbs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in truncating_function grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling truncating_function.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a truncating_function.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling psp_formatter_input.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling psp_formatter.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psp_stress_formatter.F... psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pawppv1.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hghppv1.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3-stress.F... kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling wvfnc_init.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_new.F... wvfnc_new.F:167:20: 166 | call iwrite(6,version,1) | 2 167 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:170:20: 166 | call iwrite(6,version,1) | 2 ...... 170 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:197:26: 168 | call dwrite(6,unita,9) | 2 ...... 197 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_reformat.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_ionize.F... wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_adjust.F... wvfnc_adjust.F:158:19: 157 | call iread(5,version,1) | 2 158 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:161:19: 157 | call iread(5,version,1) | 2 ...... 161 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:167:20: 166 | call iwrite(6,version,1) | 2 167 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:170:20: 166 | call iwrite(6,version,1) | 2 ...... 170 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:215:22: 157 | call iread(5,version,1) | 2 ...... 215 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:218:22: 157 | call iread(5,version,1) | 2 ...... 218 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:235:28: 159 | call dread(5,unita,9) | 2 ...... 235 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:295:26: 168 | call dwrite(6,unita,9) | 2 ...... 295 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:309:25: 157 | call iread(5,version,1) | 2 ...... 309 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:312:25: 157 | call iread(5,version,1) | 2 ...... 312 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:331:28: 157 | call iread(5,version,1) | 2 ...... 331 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:334:28: 157 | call iread(5,version,1) | 2 ...... 334 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:396:19: 157 | call iread(5,version,1) | 2 ...... 396 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:399:19: 157 | call iread(5,version,1) | 2 ...... 399 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wvfnc_convert_restricted.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling v_wvfnc_init.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_wvfnc_new.F... v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... silvestrelli_overlap.F:59:72: 59 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_translate.F... Compiling expand_cell.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling wvfnc_expand_cell.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling band_reformat_c_wvfnc.F... band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsd_input.F... cpsd_input.F:130:54: 110 | > geometry_optimize) | 2 ...... 130 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cpmd_input.F... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cpsdv5.F... cpsdv5.F:825:19: 207 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 825 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:826:19: 207 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 826 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpmdv5.F... cpmdv5.F:342:50: 218 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 342 | call dcopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:396:42: 218 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 396 | call dcopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling mmsdv1.F... Compiling inner_loop_md.F... inner_loop_md.F:364:27: 344 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 364 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:421:30: 360 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 421 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... psi_lmbda2.f:51:22: 51 | call dcopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 185 | call dcopy(nn,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_lmbda3.f... psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... pspw_et.F:1594:41: 1500 | call dcopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call dcopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling runsocket.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling inner_loop.F... inner_loop.F:437:27: 411 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 437 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:491:30: 433 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 491 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cgsd_input.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling pspw_noit_energy.F... Compiling pspw_energy.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:674:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 674 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:677:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 677 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:688:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 688 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:691:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 691 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:615:13: 615 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here Compiling cgmontecarlov1.F... cgmontecarlov1.F:769:27: 197 | call dcopy(30,0.0d0,0,E,1) | 2 ...... 769 | call dcopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:761:72: 761 | > dbl_mb(frac1(1))) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here Compiling cgoptimize1.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here Compiling cgmdv5.F... cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mmmdv1.F... mmmdv1.F:712:25: 709 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:722:25: 709 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 722 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:725:25: 709 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 725 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... cgsd_energy.F:240:36: 238 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 239 | call ecce_print1('iterative total energy difference', 240 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cgsd_energy.F:1032:19: 87 | call dcopy(40,0.0d0,0,E,1) | 2 ...... 1032 | call dcopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1370:19: 87 | call dcopy(40,0.0d0,0,E,1) | 2 ...... 1370 | call dcopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bybminimize.F... bybminimize.F:220:72: 220 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:122:72: 122 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here kp_structure.F:121:72: 121 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling analysis_input.F... Compiling analysis.F... analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... Making all in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_APC.F... pspw_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling pspw_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_Efield_grad.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cell_optimize_input.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling cell_optimize.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling update_unitcell.F... update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here Compiling stress_fd.F... stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). stress_fd.F:192:19: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call dcopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call dcopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call dcopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call dcopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call dcopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call dcopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_qmmm_input.F... pspw_qmmm_input.F:169:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 169 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pspw_qmmm_input.F:500:57: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 500 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:533:49: 167 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 533 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_qmmm_input.F:559:57: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 559 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:727:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 727 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:733:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 733 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1386:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1386 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1392:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1392 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2015:51: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2015 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pspw_qmmm.F... pspw_qmmm.F:105:46: 69 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 105 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling pspw_2qmmm.F... pspw_2qmmm.F:77:46: 59 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 77 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling pspw_springs.F... Making all in pspw_LJ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_LJ.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in pspw_Q grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_Q.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_Q.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in pspw_Pair grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_Pair.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in mmq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mmq.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a mmq.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_charge.F... pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_charge.F:676:44: 674 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 675 | call Parallel_shared_vector_zero(.false.,2*npack0, 676 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:685:43: 683 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 684 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 685 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:691:53: 690 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 691 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_charge.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_dplot_input.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pspw_dplot.F... pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) Compiling pspw_dplot_iteration.F... Compiling ELF.F... ELF.F:99:35: 99 | call dcopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 181 | call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:440:72: 440 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:379:27: 379 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here Compiling Ursenbach_smoother.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in lcao grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lcao_wvfnc.F... Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling lcaov1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a task_pspw.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in paw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_paw.F... Making all in paw_geometry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in paw_ma grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_ma.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_utils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_proj grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_proj.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_matrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_comp_charge_matrix.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_comp_charge_matrix.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_ovlp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_ovlp.o paw_overlap_matrix.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_comp_charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_comp_charge.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_comp_charge.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_special_functions grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_gaunt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_gaunt.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_gaunt.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_kinetic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_vloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_ion_potential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_core grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_core_atom.o paw_matrix_core.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_hartree grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_comp_pot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_mult grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_mult.F... paw_mult.F:1118:40: 1118 | call dcopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_nonlocal grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call dcopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_nonlocal.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_density grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_density.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_xc.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call dcopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call dcopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_force grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call dcopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call dcopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_force.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call dscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call dscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_Grsm_list.o paw_lmbfgs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_psi.F... paw_psi.F:167:22: 167 | call dcopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call dcopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call dcopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call dcopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_psi2.F... paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call dcopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call dcopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call dcopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call dcopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call dcopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call dcopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling paw_geodesic.F... paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_sd.F... paw_sd.F:903:40: 331 | call dcopy(20,0.0d0,0,E,1) | 2 ...... 903 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_cpmd.F... paw_cpmd.F:538:40: 306 | call dcopy(30,0.0d0,0,E,1) | 2 ...... 538 | call dcopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call dcopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:200:46: 200 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling paw_inner_loop.F... paw_inner_loop.F:327:32: 293 | call dcopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call dcopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:331:32: 288 | call dcopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call dcopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_marat_write.F... Compiling paw_output.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). paw_stress_fd.F:134:19: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call dcopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call dcopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call dcopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call dcopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call dcopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call dcopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_cell_optimize.F... paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a task_paw.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in band grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_input.F... band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_band.F... Compiling band_energy.F... Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... Making all in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_minimizer.F... band_minimizer.F:591:25: 588 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 591 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:601:25: 588 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 601 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:604:25: 588 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 604 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:595:72: 595 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... c_cgsd_energy_stress.F:64:19: 38 | call dcopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call dcopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_bfgsminimize.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... c_bybminimize2.F:268:20: 234 | > dbl_mb(rho_in(1)),1, | 2 ...... 268 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:269:20: 235 | > dbl_mb(rho_junk(1)),1) | 2 ...... 269 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in structure grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_structure.F... band_structure.F:652:38: 526 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 652 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). band_structure.F:704:72: 704 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[1]' was declared here band_structure.F:704:72: 704 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here band_structure.F:704:72: 704 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[2]' was declared here Compiling band_interpolate_structure.F... band_interpolate_structure.F:231:72: 231 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_interpolate_structure.F:230:72: 230 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_interpolate_structure.F:229:72: 229 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling band_kp_structure.F... band_kp_structure.F:192:72: 192 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_kp_structure.F:191:72: 191 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_sd.F... band_sd.F:825:72: 825 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:835:72: 835 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here Compiling band_cpmd.F... band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:1060:72: 1060 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here Compiling band_inner_loop.F... band_inner_loop.F:282:35: 140 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 282 | call dcopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop.F:359:72: 359 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:359:72: 359 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:359:72: 359 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) Compiling band_inner_loop_md.F... band_inner_loop_md.F:311:35: 154 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call dcopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling band_update_unitcell.F... band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbpp_band_orb.F... kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling rkbpp_band.F... rkbpp_band.F:581:32: 581 | call dcopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call dcopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). rkbpp_band.F:854:72: 854 | return | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling kbpp_e_band.F... kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_wvfnc_new.F... c_wvfnc_new.F:186:20: 185 | call iwrite(6,version,1) | 2 186 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:195:20: 185 | call iwrite(6,version,1) | 2 ...... 195 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:217:24: 187 | call dwrite(6,unita,9) | 2 ...... 217 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:302:30: 187 | call dwrite(6,unita,9) | 2 ...... 302 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:304:30: 187 | call dwrite(6,unita,9) | 2 ...... 304 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_expander.F... c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:162:19: 161 | call iread(5,version,1) | 2 162 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:165:19: 161 | call iread(5,version,1) | 2 ...... 165 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:220:22: 161 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:223:22: 161 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:240:28: 163 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:299:26: 173 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:313:25: 161 | call iread(5,version,1) | 2 ...... 313 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:316:25: 161 | call iread(5,version,1) | 2 ...... 316 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:336:28: 161 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:339:28: 161 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:405:19: 161 | call iread(5,version,1) | 2 ...... 405 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:408:19: 161 | call iread(5,version,1) | 2 ...... 408 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_v_wvfnc_new.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_reformat_c_wvfnc.F... pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in cpsp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsp.F... cpsp.F:1576:22: 1574 | call iread(5,psp_type,1) | 2 1575 | call iread(5,version,1) 1576 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1579:22: 1577 | call dread(5,unita,9) | 2 1578 | call cread(5,atom,2) 1579 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1580:22: 1577 | call dread(5,unita,9) | 2 ...... 1580 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1589:24: 1574 | call iread(5,psp_type,1) | 2 ...... 1589 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1590:24: 1574 | call iread(5,psp_type,1) | 2 ...... 1590 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1591:24: 1574 | call iread(5,psp_type,1) | 2 ...... 1591 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1604:22: 1577 | call dread(5,unita,9) | 2 ...... 1604 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1644:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1644 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1656:48: 1646 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 1656 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1658:48: 1646 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 1658 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1670:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1670 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1671:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1671 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1672:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1672 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1683:48: 1646 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 1683 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call dcopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1012 | call dcopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call daxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1024 | call daxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call daxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1024 | call daxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1188:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1188 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:938:72: 938 | occ_shift = occ_shift+1 | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:643:31: 643 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ_shift' was declared here cpsp.F:1436:72: 1436 | occ_shift = occ_shift+1 | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1231:43: 1231 | integer occ1_tag,occ1_shift,occ_shift | ^ note: 'occ_shift' was declared here Compiling cpsp_relativistic.F... cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:901:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 901 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1127:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1127 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling c_semicore.F... c_semicore.F:459:32: 436 | call dcopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call dcopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_semicore_force.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cke.F... cke.F:195:23: 160 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 195 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:196:23: 160 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 196 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cke.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_coulomb.F... Compiling c_coulomb_screened.F... c_coulomb_screened.F:190:32: 165 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call dcopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call dcopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a c_coulomb.o c_coulomb_screened.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_electron.F... c_electron.F:1289:25: 1163 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1289 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1289:42: 1163 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1289 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1298:35: 1272 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1298 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:268:28: 268 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1165 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:269:31: 269 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1167 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:276:20: 276 | > orb, | 1 ...... 1018 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:277:20: 277 | > dcpl_mb(tmp_r(1)), | 1 ...... 1019 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:278:20: 278 | > Horb) | 1 ...... 1020 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:279:36: 279 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1025 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:325:72: 325 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:325:72: 325 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:325:72: 325 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1463:26: 1227 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 1463 | call dcopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1463:45: 1227 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 1463 | call dcopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_H.F... cpsi_H.F:167:31: 167 | > dbl_mb(Hpsi_shift)) | 1 ...... 448 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:277:29: 107 | call dcopy(2*npack0,vc,1,dcpl_mb(vall(1)),1) | 2 ...... 277 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:277:37: 107 | call dcopy(2*npack0,vc,1,dcpl_mb(vall(1)),1) | 2 ...... 277 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:320:29: 142 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 320 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:547:31: 431 | > orb_r, | 2 ...... 547 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:148:72: 148 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a c_electron.o cpsi_H.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsi.F... cpsi.F:2947:33: 148 | > dbl_mb(rho1(1)),1) | 2 ...... 2947 | call dcopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:3124:45: 3032 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 3124 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:3202:50: 2082 | > mt_log,1,psi_nogrid)) | 2 ...... 3202 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling c_geodesic.F... c_geodesic.F:530:25: 221 | > dbl_mb(ynewshift)) | 2 ...... 530 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:620:25: 407 | > dbl_mb(tGshift),npack1, | 2 ...... 620 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_lmbda.F... Compiling cpsi_KS.F... cpsi_KS.F:2973:33: 2971 | > dcpl_mb(r1(1))) | 2 2972 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 2973 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:2974:33: 2970 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 2974 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:2735:29: 2715 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 2 ...... 2735 | call Cram_cc_dot(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:2742:31: 2731 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 2742 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:2888:25: 2731 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 2888 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1464:72: 1464 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1469:20: 1469 | > dbl_mb(psi_ptr), | 1 ...... 2716 | > dcpl_mb(g(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1484:36: 1484 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2755 | call Cram_c_SMul1(nb,de0,dcpl_mb(t(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:938:24: 938 | > tau_t) | 1 ...... 2885 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:1358:72: 1358 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:362:72: 362 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:451:72: 451 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2412:72: 2412 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) Compiling BGrsm.F... BGrsm.F:82:23: 44 | call dcopy(nsize,A,1,C,1) | 2 ...... 82 | call dcopy(nsize,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:112:34: 44 | call dcopy(nsize,A,1,C,1) | 2 ...... 112 | call dcopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_read.F:88:22: 87 | call iread(5,version,1) | 2 88 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:91:22: 87 | call iread(5,version,1) | 2 ...... 91 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:101:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 100 | msglen = 3 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:107:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:249:48: 190 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 249 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:368:22: 87 | call iread(5,version,1) | 2 ...... 368 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:371:22: 87 | call iread(5,version,1) | 2 ...... 371 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:380:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 380 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:386:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 386 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:599:22: 87 | call iread(5,version,1) | 2 ...... 599 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:602:22: 87 | call iread(5,version,1) | 2 ...... 602 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:612:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 612 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:618:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 618 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_write.F... cpsi_write.F:93:23: 92 | call iwrite(6,version,1) | 2 93 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:102:23: 92 | call iwrite(6,version,1) | 2 ...... 102 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:262:23: 92 | call iwrite(6,version,1) | 2 ...... 262 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:271:23: 92 | call iwrite(6,version,1) | 2 ...... 271 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:386:23: 92 | call iwrite(6,version,1) | 2 ...... 386 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:395:23: 92 | call iwrite(6,version,1) | 2 ...... 395 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:399:24: 92 | call iwrite(6,version,1) | 2 ...... 399 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:402:24: 92 | call iwrite(6,version,1) | 2 ...... 402 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:526:23: 92 | call iwrite(6,version,1) | 2 ...... 526 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:535:23: 92 | call iwrite(6,version,1) | 2 ...... 535 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_read.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_write.F... crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling v_cpsi_write.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call dcopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call dcopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_hfx.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call dscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call dscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_Grsm_list.o band_lmbfgs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in borbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling borbs.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling borb_projector.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a borbs.o borb_projector.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_dplot_input.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling band_dplot.F... band_dplot.F:660:49: 625 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 660 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1017:30: 432 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1017 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). band_dplot.F:894:30: 894 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1764 | call dcopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:894:38: 894 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1764 | call dcopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:927:36: 927 | call dscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1765 | call dscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling band_dplot_iteration.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_analysis.F... band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). band_analysis.F:312:44: 310 | call dcopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call dcopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call dcopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling orb_pop_borb.F... Making all in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_APC.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling band_Efield.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_APC.o band_Efield.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_analysis.o orb_pop_borb.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in ofpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ofpw_energy.F... Compiling task_ofpw.F... Making all in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ofpw_minimizer.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... inner_loop_ofpw.F:160:32: 141 | call dcopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call dcopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call dcopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call dcopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling chi_lmbda.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in chi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling chi_read.F... chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_write.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_new.F... Compiling chi_expander.F... chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling chi_H.F... Compiling chi_Hv4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a chi_H.o chi_Hv4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling v_thomasfermi.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a v_thomasfermi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in WGC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a wgc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ofpw_energy.o task_ofpw.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a Making libraries in fft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in pfft1.0 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in fftpack grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dcfftb.F... Compiling dcfftf.F... Compiling dcffti.F... Compiling dcftb1.F... Compiling dcftf1.F... Compiling dcfti1.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb.F... Compiling dpssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb3.F... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling drfftb.F... Compiling drfftf.F... Compiling drffti.F... Compiling drftb1.F... Compiling drftf1.F... Compiling drfti1.F... Compiling dradb2.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb4.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb5.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradbg.F... Compiling dradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf5.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradfg.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a Making all in pfft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in pfftwrap grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwfft3d.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a nwfft3d.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in python grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling python_input.F... Compiling task_python.c... task_python.c: In function 'task_python_': task_python.c:46:4: warning: 'Py_SetProgramName' is deprecated [-Wdeprecated-declarations] 46 | Py_SetProgramName(nwprogram); | ^~~~~~~~~~~~~~~~~ In file included from /usr/include/python3.11/Python.h:94, from task_python.c:4: /usr/include/python3.11/pylifecycle.h:37:38: note: declared here 37 | Py_DEPRECATED(3.11) PyAPI_FUNC(void) Py_SetProgramName(const wchar_t *); | ^~~~~~~~~~~~~~~~~ Compiling nwchem_wrap.c... nwchem_wrap.c:1800:18: warning: 'error_out' defined but not used [-Wunused-function] 1800 | static PyObject* error_out(PyObject *m) { | ^~~~~~~~~ Compiling nw_inp_from_string.c... nw_inp_from_string.c: In function 'nw_inp_from_string': nw_inp_from_string.c:37:10: warning: unused variable 'fstring' [-Wunused-variable] 37 | char fstring[255]; | ^~~~~~~ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a Making libraries in analyz grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling ana_report.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_task.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_torsion.F... Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a Making libraries in nwmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwmd.F... Compiling md_start.F... md_start.F:1989:7: 1720 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1989 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(4)). md_start.F:1989:72: 1989 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_start.F:1336:29: 1334 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1335 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1336 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here Compiling md_input.F... md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_main.F... md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a Making libraries in cafe grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cf_d.F... Compiling cf_fp.F... cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=4)[0:D.9038] *)_2236][_31]' may be used uninitialized [-Wmaybe-uninitialized] Compiling cf_f.F... cf_f.fh:4662:9: 4662 | if(isrx.eq.999) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here Compiling cf_list.F... Compiling cf_main.F... cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a Making libraries in space grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling sp_init.F... sp_init.F:4049:54: 4036 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4049 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_init.F:4071:28: 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4071 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_init.F:4098:56: 4086 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4098 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_init.F:1188:28: 1188 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3021:28: 3021 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2080:26: 2080 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1703:38: 1703 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1860:38: 1860 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2229:35: 2210 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2229 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_init.F:2229:43: 2210 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2229 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling sp_main.F... sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a sp_init.o sp_main.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a Making libraries in drdy grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). nwc_gen.F:89:24: 83 | call dcopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call dcopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a Making libraries in vscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vscf_input.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling vscf.F... vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a vscf_input.o vscf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a Making libraries in qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qmmm.F... Compiling task_qmmm_gradient.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mm_interface.F... mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling qmmm_link.F... Compiling qmmm_data.F... qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling qmmm_lbfgsb.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling qmmm_main.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling qmmm_check_forces.F... qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qmmm_bq.F... qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling qmmm_esp.F... qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling qmmm_cons.F... qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling qmmm_geom.F... qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) Compiling qmmm_bq_data.F... qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(4)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmmm_optimize.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling task_qmmm_dynamics.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling qmmm_output.F... qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling mm_utils.F... Compiling qmmm_input.F... qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(4)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling qmmm_pes.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qmmm_property.F... Compiling task_qmmm_fep.F... task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_qmmm_abc.F... task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a Making libraries in qmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qmd_init.F... qmd_init.F:80:52: 74 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 2 ...... 80 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_init.F:109:72: 109 | m_nh(ichain) = nh_mass(ichain) ! mass of chains | ^ Warning: 'nh_mass' may be used uninitialized [-Wmaybe-uninitialized] qmd_init.F:41:33: 41 | double precision nh_mass(2) ! nose-hoover mass | ^ note: 'nh_mass' declared here Compiling qmd_driver.F... qmd_driver.F:133:55: 130 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 133 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_main.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_input.F... qmd_input.F:66:55: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 66 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). qmd_input.F:87:52: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 87 | if (.not.rtdb_put(rtdb,'qmd:nh_mass',mt_dbl,2,nh_mass)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) qmd_input.F:203:56: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 203 | if (.not.rtdb_put(rtdb,'qmd:nh_mass',mt_dbl,2,nh_mass)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) qmd_input.F:249:57: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 249 | if (.not.rtdb_put(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling qmd_start.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... qmd_gradient.F:37:51: 35 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 36 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 37 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_kinetic.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_write_trj.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_write_rst.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_read_rst.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_freeze_inactive.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_move_civecs.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_elec_prop.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_tdks_enmo.F... qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_tddft_enmo.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_namd_init.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_namd_input.F... qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling qmd_set_den.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_coords_vels.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_civecs_read.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_property.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a Making libraries in etrans grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling et_calc.F... et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling et_det.F... Compiling et_2e.F... Compiling et_dgefa.F... Compiling et_movecs_read.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a Making libraries in tce grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_input.F... tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1799 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tce_init.F... tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:797:72: 797 | 1 scftype,nbf_verify,ipol_verify,nmo,2)) call errquit | 1 Warning: Missing actual argument for argument '_formal_5' at (1) tce_init.F:889:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 889 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_energy.F... tce_energy.F:604:15: 593 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 604 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tce_energy.F:611:17: 595 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 611 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling tce_energy_fragment.F... tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tce_energy_fragment.F:346:31: 346 | if (.not.semi_dir_mp2(rtdb,.false.)) call errquit | 1 Warning: More actual than formal arguments in procedure call at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_tile.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... deletefile.F:131:12: 131 | if (j.lt.nfiles) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] deletefile.F:22:17: 22 | integer i,j | ^ note: 'j' was declared here Compiling reconcilefile.F... Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] get_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling put_block.F... put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... add_block.F:76:72: 76 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] add_block.F:29:17: 29 | integer i,j | ^ note: 'j' was declared here Compiling tce_tidy.F... Compiling sf_test.F... Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_print_x1.F... Compiling tce_print_x2.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... Compiling tce_residual_t4.F... Compiling ma_pack.F... Compiling sf_print.F... Compiling ma_print_compact.F... Compiling ma_scale.F... Compiling copyfile.F... Compiling ddotfile.F... Compiling daxfile.F... Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... sym_abelian_axis.F:21:0: 21 | #include "global.fh" ! ga_nodeid() | Warning: extra tokens at end of #include directive sym_abelian_axis.F:22:0: 22 | #include "util.fh" ! util_print(..) | Warning: extra tokens at end of #include directive sym_abelian_axis.F:23:0: 23 | #include "stdio.fh" ! LuOut=6 | Warning: extra tokens at end of #include directive Compiling tce_mod1_new.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mod1_offset_new.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... tce_eom_xdiagon.F:799:72: 799 | call tce_jacobi_x1(x1(imicro),k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:800:72: 800 | call tce_jacobi_x2(x2(imicro),k_x2_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:1380:72: 1380 | call tce_jacobi_x1(x1(imicro),k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:1973:72: 1973 | & k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:1975:72: 1975 | & k_x2_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:2483:72: 2483 | & k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tce_ao2e_cholesky.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling get_block_ind_sf.F... get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:25: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:142:72: 142 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:29: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:139:72: 139 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:17: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:140:72: 140 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:21: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:138:72: 138 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:21:23: 21 | INTEGER size_last | ^ note: 'size_last' was declared here tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:25: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:598:72: 598 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:29: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:595:72: 595 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:17: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:596:72: 596 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:21: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:594:72: 594 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:471:23: 471 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling tce_mo2e_offset_size.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... tce_mo2e_zones_4a_disk_ga.F:574:72: 574 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga.F:78:34: 78 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop.F... tce_mo2e_zones_4a_disk_ga_chop.F:580:72: 580 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop.F:84:34: 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_2s_new.F... Compiling tce_restart.F... Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_reference_check.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... Compiling tce_multipole_destroy.F... Compiling tce_create_t1.F... Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... Compiling tce_create_x1.F... Compiling tce_create_x2.F... Compiling tce_create_x3.F... Compiling tce_create_x4.F... Compiling tce_create_y1.F... Compiling tce_create_y2.F... Compiling tce_create_y3.F... Compiling tce_create_y4.F... Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... Compiling tce_clone_x4.F... Compiling tce_clone_y1.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling tce_t1_offset_new.F... Compiling tce_t2_offset_new.F... Compiling tce_t3_offset_new.F... Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... Compiling tce_x2_offset_new.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling tce_y1_offset_new.F... Compiling tce_y2_offset_new.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling tce_ccsd_driver.F... Compiling tce_ccsdt_driver.F... Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_init_new.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... tce_mo2e_zones_4a_disk_4s_new_patch.F:256:10: 256 | if(i.eq.ip_max1) go to 771 | ^ Warning: 'ip_max1' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch.F:101:41: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'ip_max1' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_mo2e_incore_2eorb.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet3_n5.F... tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3_n5.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4.F... tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4_n5.F... tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4_n5.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling get_hash_block_ma.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... Compiling ccsd_lambda.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling tce_schmidt.F... Compiling tensor_read_write.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tce_diis_act.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... tce_mo2e_zones_4a_disk_ga_act.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_act.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_act.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... new_ga4ind_N5.F:2048:39: 2048 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_N5.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... tce_mo2e_zones_4a_disk_ga_chop_N5.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_eom_xguess.F... Compiling tce_eom_yguess.F... Compiling ma_transpose.F... Making all in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in diis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_diis.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... Compiling tce_jacobi_t1.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... Compiling tce_jacobi_l1.F... Compiling tce_jacobi_l2.F... Compiling tce_jacobi_l3.F... Compiling tce_jacobi_l4.F... Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_jacobi_t3a.F... Compiling tce_jacobi_x3a.F... Compiling t2_2_y2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in diis2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_gradient.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling ccsd_1pdm_ph_mo.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... Compiling zvec_x_b_b_a.F... Compiling zvec_x_b_b_b.F... Compiling zvec_x_b_c.F... Compiling zvec_x_b_d_a.F... Compiling zvec_x_b_d_b.F... Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling zvec_x_c_a.F... Compiling zvec_x_c_b.F... Compiling ccsd_zvec.F... Compiling wdm_hh_mo_a.F... Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_a_b.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... Compiling wdm_hh_mo_c_b_b.F... Compiling wdm_hh_mo_c_c_a.F... Compiling wdm_hh_mo_c_c_b.F... Compiling wdm_hh_mo_c_d.F... Compiling wdm_hh_mo_c_e_a.F... Compiling wdm_hh_mo_c_e_b.F... Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... Compiling wdm_hh_mo_d.F... Compiling wdm_hp_mo_a.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling wdm_hp_mo_b_b_a.F... Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling wdm_hp_mo_b_d_b.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling wdm_pp_mo_b_d_a.F... Compiling wdm_pp_mo_b_d_b.F... Compiling wdm_pp_mo_b_e_a.F... Compiling wdm_pp_mo_b_e_b.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_dens_hphp_offset.F... Compiling tce_dens_hppp_offset.F... Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... Compiling tce_zvec_x1_offset.F... Compiling tce_2pdm_offset.F... Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tce_grad_force.F:1002:72: 1002 | 1 ma_err) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eomccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... offl_ccsd_t_doubles_l.F:666:72: 666 | D deltat_mic) | 1 Warning: Type mismatch in argument 'deltat' at (1); passed REAL(8) to INTEGER(4) offl_ccsd_t_doubles_l.F:666:72: 666 | D deltat_mic) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cr-eomccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... cr_eomccsd_t.F:258:72: 258 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:272:72: 272 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in lrh grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_loc_j1.o tce_loc_j2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in emb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here Compiling emb2.F... emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccd_e.F... Compiling ccd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccd_e.o ccd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in lccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lccd_e.F... Compiling lccd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a lccd_e.o lccd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in lccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in qcisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cc3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt1 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt1_t1.o mbpt1_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt4_e.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt4_e.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cisd_e.o cisd_c1.o cisd_c2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cisdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cisdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eomccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cr_eomccsd_t_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in sort grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ducc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling map_hcore.F... map_hcore.F:367:34: 367 | & (iph4.lt.iph5).and.(iph5.lt.iph6)) then | ^ Warning: 'ipp3' may be used uninitialized [-Wmaybe-uninitialized] map_hcore.F:310:34: 310 | integer iph6,iph5,iph4,ipp3,ipp2,ipp1 | ^ note: 'ipp3' was declared here Compiling rot_vir.F... Compiling ducc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a map_hcore.o rot_vir.o ducc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ucc4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eaccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... Compiling tce_print_eax1.F... Compiling tce_print_eax2.F... Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... Compiling tce_eom_eaxguess.F... Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ipccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... Compiling tce_ipx1_offset.F... Compiling tce_ipx2_offset.F... Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... Compiling tce_jacobi_ipx2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdt_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_lr_alpha_offdiag_10_1_1.F... Compiling ccsdt_lr_alpha_offdiag_10_1.F... Compiling ccsdt_lr_alpha_offdiag_10_2_1.F... Compiling ccsdt_lr_alpha_offdiag_10_2.F... Compiling ccsdt_lr_alpha_offdiag_10_3_1.F... Compiling ccsdt_lr_alpha_offdiag_10_3.F... Compiling ccsdt_lr_alpha_offdiag_10_4_1.F... Compiling ccsdt_lr_alpha_offdiag_10_4.F... Compiling ccsdt_lr_alpha_offdiag_10.F... Compiling ccsdt_lr_alpha_offdiag_11_1_1.F... Compiling ccsdt_lr_alpha_offdiag_11_1.F... Compiling ccsdt_lr_alpha_offdiag_11_2_1.F... Compiling ccsdt_lr_alpha_offdiag_11_2_2.F... Compiling ccsdt_lr_alpha_offdiag_11_2.F... Compiling ccsdt_lr_alpha_offdiag_11_3_1.F... Compiling ccsdt_lr_alpha_offdiag_11_3.F... Compiling ccsdt_lr_alpha_offdiag_11_4_1.F... Compiling ccsdt_lr_alpha_offdiag_11_4.F... Compiling ccsdt_lr_alpha_offdiag_11_5_1.F... Compiling ccsdt_lr_alpha_offdiag_11_5.F... Compiling ccsdt_lr_alpha_offdiag_1_1.F... Compiling ccsdt_lr_alpha_offdiag_11.F... Compiling ccsdt_lr_alpha_offdiag_12_10_1.F... 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Compiling offset_ccsdt_lr_alpha_offdiag_9_7_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_lr_alpha_offdiag_10_1_1.o ccsdt_lr_alpha_offdiag_10_1.o ccsdt_lr_alpha_offdiag_10_2_1.o ccsdt_lr_alpha_offdiag_10_2.o ccsdt_lr_alpha_offdiag_10_3_1.o ccsdt_lr_alpha_offdiag_10_3.o ccsdt_lr_alpha_offdiag_10_4_1.o ccsdt_lr_alpha_offdiag_10_4.o ccsdt_lr_alpha_offdiag_10.o ccsdt_lr_alpha_offdiag_11_1_1.o ccsdt_lr_alpha_offdiag_11_1.o ccsdt_lr_alpha_offdiag_11_2_1.o ccsdt_lr_alpha_offdiag_11_2_2.o ccsdt_lr_alpha_offdiag_11_2.o ccsdt_lr_alpha_offdiag_11_3_1.o ccsdt_lr_alpha_offdiag_11_3.o ccsdt_lr_alpha_offdiag_11_4_1.o ccsdt_lr_alpha_offdiag_11_4.o ccsdt_lr_alpha_offdiag_11_5_1.o ccsdt_lr_alpha_offdiag_11_5.o ccsdt_lr_alpha_offdiag_1_1.o ccsdt_lr_alpha_offdiag_11.o ccsdt_lr_alpha_offdiag_12_10_1.o ccsdt_lr_alpha_offdiag_12_10_2_1.o ccsdt_lr_alpha_offdiag_12_10_2.o ccsdt_lr_alpha_offdiag_12_10_3_1.o 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offset_ccsdt_lr_alpha_offdiag_13_14_2_1.o offset_ccsdt_lr_alpha_offdiag_13_15_1_1.o offset_ccsdt_lr_alpha_offdiag_13_15_1.o offset_ccsdt_lr_alpha_offdiag_13_15_2_1.o offset_ccsdt_lr_alpha_offdiag_13_16_1_1.o offset_ccsdt_lr_alpha_offdiag_13_16_1.o offset_ccsdt_lr_alpha_offdiag_13_16_2_1.o offset_ccsdt_lr_alpha_offdiag_13_17_1_1.o offset_ccsdt_lr_alpha_offdiag_13_17_1.o offset_ccsdt_lr_alpha_offdiag_13_17_2_1.o offset_ccsdt_lr_alpha_offdiag_13_1.o offset_ccsdt_lr_alpha_offdiag_13_2_1.o offset_ccsdt_lr_alpha_offdiag_13_3_1.o offset_ccsdt_lr_alpha_offdiag_13_4_1.o offset_ccsdt_lr_alpha_offdiag_13_5_1.o offset_ccsdt_lr_alpha_offdiag_13_6_1.o offset_ccsdt_lr_alpha_offdiag_13_7_1.o offset_ccsdt_lr_alpha_offdiag_13_8_1.o offset_ccsdt_lr_alpha_offdiag_13_9_1.o offset_ccsdt_lr_alpha_offdiag_14_1_1.o offset_ccsdt_lr_alpha_offdiag_1_4_1.o offset_ccsdt_lr_alpha_offdiag_14_1.o offset_ccsdt_lr_alpha_offdiag_14_2_1.o offset_ccsdt_lr_alpha_offdiag_15_10_1.o offset_ccsdt_lr_alpha_offdiag_15_11_1.o 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offset_ccsdt_lr_alpha_offdiag_15_17_1_1.o offset_ccsdt_lr_alpha_offdiag_15_17_1.o offset_ccsdt_lr_alpha_offdiag_15_17_2_1.o offset_ccsdt_lr_alpha_offdiag_15_18_1_1.o offset_ccsdt_lr_alpha_offdiag_15_18_1.o offset_ccsdt_lr_alpha_offdiag_15_18_2_1.o offset_ccsdt_lr_alpha_offdiag_15_19_1_1.o offset_ccsdt_lr_alpha_offdiag_15_19_1.o offset_ccsdt_lr_alpha_offdiag_15_19_2_1.o offset_ccsdt_lr_alpha_offdiag_1_5_1.o offset_ccsdt_lr_alpha_offdiag_15_1.o offset_ccsdt_lr_alpha_offdiag_15_20_1_1.o offset_ccsdt_lr_alpha_offdiag_15_20_1.o offset_ccsdt_lr_alpha_offdiag_15_20_2_1.o offset_ccsdt_lr_alpha_offdiag_15_20_3_1.o offset_ccsdt_lr_alpha_offdiag_15_20_4_1.o offset_ccsdt_lr_alpha_offdiag_15_21_1_1.o offset_ccsdt_lr_alpha_offdiag_15_21_1.o offset_ccsdt_lr_alpha_offdiag_15_21_2_1.o offset_ccsdt_lr_alpha_offdiag_15_2_1.o offset_ccsdt_lr_alpha_offdiag_15_22_1_1.o offset_ccsdt_lr_alpha_offdiag_15_2_2_1.o offset_ccsdt_lr_alpha_offdiag_15_22_1.o offset_ccsdt_lr_alpha_offdiag_15_22_2_1.o offset_ccsdt_lr_alpha_offdiag_15_23_10_1_1.o offset_ccsdt_lr_alpha_offdiag_15_23_10_1.o offset_ccsdt_lr_alpha_offdiag_15_23_10_2_1.o offset_ccsdt_lr_alpha_offdiag_15_23_1_1.o offset_ccsdt_lr_alpha_offdiag_15_23_1_3_1.o offset_ccsdt_lr_alpha_offdiag_15_23_1_4_1.o offset_ccsdt_lr_alpha_offdiag_15_23_1.o offset_ccsdt_lr_alpha_offdiag_15_23_2_1.o offset_ccsdt_lr_alpha_offdiag_15_23_3_1.o offset_ccsdt_lr_alpha_offdiag_15_23_4_1.o offset_ccsdt_lr_alpha_offdiag_15_23_4_3_1.o offset_ccsdt_lr_alpha_offdiag_15_23_4_4_1.o offset_ccsdt_lr_alpha_offdiag_15_23_5_1.o offset_ccsdt_lr_alpha_offdiag_15_23_6_1.o offset_ccsdt_lr_alpha_offdiag_15_23_7_1_1.o offset_ccsdt_lr_alpha_offdiag_15_23_7_1.o offset_ccsdt_lr_alpha_offdiag_15_23_7_2_1.o offset_ccsdt_lr_alpha_offdiag_15_23_8_1_1.o offset_ccsdt_lr_alpha_offdiag_15_23_8_1.o offset_ccsdt_lr_alpha_offdiag_15_23_8_2_1.o offset_ccsdt_lr_alpha_offdiag_15_23_9_1_1.o offset_ccsdt_lr_alpha_offdiag_15_23_9_1.o offset_ccsdt_lr_alpha_offdiag_15_23_9_2_1.o offset_ccsdt_lr_alpha_offdiag_15_24_1_1.o offset_ccsdt_lr_alpha_offdiag_15_24_1.o offset_ccsdt_lr_alpha_offdiag_15_24_2_1.o offset_ccsdt_lr_alpha_offdiag_15_25_1_1.o offset_ccsdt_lr_alpha_offdiag_15_25_1.o offset_ccsdt_lr_alpha_offdiag_15_25_2_1.o offset_ccsdt_lr_alpha_offdiag_15_25_3_1.o offset_ccsdt_lr_alpha_offdiag_15_25_4_1.o offset_ccsdt_lr_alpha_offdiag_15_26_1_1.o offset_ccsdt_lr_alpha_offdiag_15_26_1.o offset_ccsdt_lr_alpha_offdiag_15_26_2_1.o offset_ccsdt_lr_alpha_offdiag_15_27_1_1.o offset_ccsdt_lr_alpha_offdiag_15_27_1_3_1.o offset_ccsdt_lr_alpha_offdiag_15_27_1.o offset_ccsdt_lr_alpha_offdiag_15_27_2_1.o offset_ccsdt_lr_alpha_offdiag_15_27_3_1.o offset_ccsdt_lr_alpha_offdiag_15_27_4_1.o offset_ccsdt_lr_alpha_offdiag_15_27_4_3_1.o offset_ccsdt_lr_alpha_offdiag_15_27_4_4_1.o offset_ccsdt_lr_alpha_offdiag_15_27_5_1.o offset_ccsdt_lr_alpha_offdiag_15_27_6_1.o offset_ccsdt_lr_alpha_offdiag_15_27_7_1_1.o offset_ccsdt_lr_alpha_offdiag_15_27_7_1.o offset_ccsdt_lr_alpha_offdiag_15_27_8_1_1.o offset_ccsdt_lr_alpha_offdiag_15_27_8_1.o offset_ccsdt_lr_alpha_offdiag_15_27_8_2_1.o offset_ccsdt_lr_alpha_offdiag_15_28_1_1.o offset_ccsdt_lr_alpha_offdiag_15_28_1.o offset_ccsdt_lr_alpha_offdiag_15_29_1_1.o offset_ccsdt_lr_alpha_offdiag_15_29_1.o offset_ccsdt_lr_alpha_offdiag_15_30_1_1.o offset_ccsdt_lr_alpha_offdiag_15_30_1.o offset_ccsdt_lr_alpha_offdiag_15_31_1_1.o offset_ccsdt_lr_alpha_offdiag_15_31_1.o offset_ccsdt_lr_alpha_offdiag_15_3_1.o offset_ccsdt_lr_alpha_offdiag_15_32_1_1.o offset_ccsdt_lr_alpha_offdiag_15_32_1.o offset_ccsdt_lr_alpha_offdiag_15_33_1_1.o offset_ccsdt_lr_alpha_offdiag_15_33_1.o offset_ccsdt_lr_alpha_offdiag_15_33_2_1.o offset_ccsdt_lr_alpha_offdiag_15_33_3_1.o offset_ccsdt_lr_alpha_offdiag_15_33_4_1.o offset_ccsdt_lr_alpha_offdiag_15_34_1_1.o offset_ccsdt_lr_alpha_offdiag_15_34_1.o offset_ccsdt_lr_alpha_offdiag_15_35_1_1.o offset_ccsdt_lr_alpha_offdiag_15_35_1.o offset_ccsdt_lr_alpha_offdiag_15_35_2_1.o offset_ccsdt_lr_alpha_offdiag_15_36_1_1.o offset_ccsdt_lr_alpha_offdiag_15_36_1.o offset_ccsdt_lr_alpha_offdiag_15_36_2_1.o offset_ccsdt_lr_alpha_offdiag_15_37_1_1.o offset_ccsdt_lr_alpha_offdiag_15_37_1.o offset_ccsdt_lr_alpha_offdiag_15_37_2_1.o offset_ccsdt_lr_alpha_offdiag_15_38_1_1.o offset_ccsdt_lr_alpha_offdiag_15_38_1.o offset_ccsdt_lr_alpha_offdiag_15_38_2_1.o offset_ccsdt_lr_alpha_offdiag_15_39_1_1.o offset_ccsdt_lr_alpha_offdiag_15_39_1.o offset_ccsdt_lr_alpha_offdiag_15_39_2_1.o offset_ccsdt_lr_alpha_offdiag_15_4_1.o offset_ccsdt_lr_alpha_offdiag_15_4_3_1.o offset_ccsdt_lr_alpha_offdiag_15_4_4_1.o offset_ccsdt_lr_alpha_offdiag_15_5_1.o offset_ccsdt_lr_alpha_offdiag_15_6_1.o offset_ccsdt_lr_alpha_offdiag_15_7_1.o offset_ccsdt_lr_alpha_offdiag_15_8_1.o offset_ccsdt_lr_alpha_offdiag_15_9_1.o offset_ccsdt_lr_alpha_offdiag_16_10_1.o offset_ccsdt_lr_alpha_offdiag_16_11_1_1.o offset_ccsdt_lr_alpha_offdiag_16_11_1.o offset_ccsdt_lr_alpha_offdiag_16_11_2_1.o offset_ccsdt_lr_alpha_offdiag_16_11_3_1.o offset_ccsdt_lr_alpha_offdiag_16_11_4_1.o offset_ccsdt_lr_alpha_offdiag_16_1_1.o offset_ccsdt_lr_alpha_offdiag_16_12_1_1.o offset_ccsdt_lr_alpha_offdiag_16_12_1.o offset_ccsdt_lr_alpha_offdiag_16_12_2_1.o offset_ccsdt_lr_alpha_offdiag_16_12_3_1.o offset_ccsdt_lr_alpha_offdiag_16_12_4_1.o offset_ccsdt_lr_alpha_offdiag_16_13_1_1.o offset_ccsdt_lr_alpha_offdiag_16_13_1.o offset_ccsdt_lr_alpha_offdiag_16_13_2_1.o offset_ccsdt_lr_alpha_offdiag_16_13_3_1.o offset_ccsdt_lr_alpha_offdiag_16_13_4_1.o offset_ccsdt_lr_alpha_offdiag_1_6_1.o offset_ccsdt_lr_alpha_offdiag_16_1.o offset_ccsdt_lr_alpha_offdiag_16_2_1.o offset_ccsdt_lr_alpha_offdiag_16_3_1.o offset_ccsdt_lr_alpha_offdiag_16_4_1.o offset_ccsdt_lr_alpha_offdiag_16_5_1.o offset_ccsdt_lr_alpha_offdiag_16_6_1.o offset_ccsdt_lr_alpha_offdiag_16_7_1.o offset_ccsdt_lr_alpha_offdiag_16_8_1.o offset_ccsdt_lr_alpha_offdiag_16_9_1.o offset_ccsdt_lr_alpha_offdiag_1_7_1.o offset_ccsdt_lr_alpha_offdiag_17_1.o offset_ccsdt_lr_alpha_offdiag_1_8_1.o offset_ccsdt_lr_alpha_offdiag_1_9_1.o offset_ccsdt_lr_alpha_offdiag_2_1.o offset_ccsdt_lr_alpha_offdiag_3_10_1_1.o offset_ccsdt_lr_alpha_offdiag_3_10_1.o offset_ccsdt_lr_alpha_offdiag_3_10_2_1.o offset_ccsdt_lr_alpha_offdiag_3_1_1.o offset_ccsdt_lr_alpha_offdiag_3_1.o offset_ccsdt_lr_alpha_offdiag_3_2_1.o offset_ccsdt_lr_alpha_offdiag_3_3_1.o offset_ccsdt_lr_alpha_offdiag_3_3_2_1.o offset_ccsdt_lr_alpha_offdiag_3_4_1.o offset_ccsdt_lr_alpha_offdiag_3_5_1.o offset_ccsdt_lr_alpha_offdiag_3_5_3_1.o offset_ccsdt_lr_alpha_offdiag_3_5_4_1.o offset_ccsdt_lr_alpha_offdiag_3_6_1.o offset_ccsdt_lr_alpha_offdiag_3_7_1.o offset_ccsdt_lr_alpha_offdiag_3_8_1.o offset_ccsdt_lr_alpha_offdiag_3_8_2_1.o offset_ccsdt_lr_alpha_offdiag_3_9_1.o offset_ccsdt_lr_alpha_offdiag_4_1.o offset_ccsdt_lr_alpha_offdiag_5_1.o offset_ccsdt_lr_alpha_offdiag_5_4_1.o offset_ccsdt_lr_alpha_offdiag_5_5_1.o offset_ccsdt_lr_alpha_offdiag_5_6_1.o offset_ccsdt_lr_alpha_offdiag_5_7_1.o offset_ccsdt_lr_alpha_offdiag_5_8_1.o offset_ccsdt_lr_alpha_offdiag_5_9_1.o offset_ccsdt_lr_alpha_offdiag_6_1.o offset_ccsdt_lr_alpha_offdiag_7_1.o offset_ccsdt_lr_alpha_offdiag_8_1.o offset_ccsdt_lr_alpha_offdiag_9_1_1.o offset_ccsdt_lr_alpha_offdiag_9_1.o offset_ccsdt_lr_alpha_offdiag_9_2_1.o offset_ccsdt_lr_alpha_offdiag_9_3_1.o offset_ccsdt_lr_alpha_offdiag_9_4_1.o offset_ccsdt_lr_alpha_offdiag_9_5_1.o offset_ccsdt_lr_alpha_offdiag_9_6_1.o offset_ccsdt_lr_alpha_offdiag_9_7_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdt_alpha_new grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_lr_alpha1.F... Compiling ccsdt_lr_alpha1_1.F... Compiling ccsdt_lr_alpha1_1_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_1.F... Compiling ccsdt_lr_alpha1_1_2.F... Compiling ccsdt_lr_alpha1_1_3.F... Compiling ccsdt_lr_alpha1_1_4.F... Compiling ccsdt_lr_alpha1_1_4_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_4_1.F... Compiling ccsdt_lr_alpha1_1_4_2.F... Compiling ccsdt_lr_alpha1_1_4_3.F... Compiling ccsdt_lr_alpha1_1_5.F... Compiling ccsdt_lr_alpha1_1_5_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_5_1.F... Compiling ccsdt_lr_alpha1_1_5_2.F... Compiling ccsdt_lr_alpha1_1_5_3.F... Compiling ccsdt_lr_alpha1_1_6.F... Compiling ccsdt_lr_alpha1_1_6_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_6_1.F... Compiling ccsdt_lr_alpha1_1_6_2.F... Compiling ccsdt_lr_alpha1_1_7.F... Compiling ccsdt_lr_alpha1_1_7_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_7_1.F... Compiling ccsdt_lr_alpha1_1_8.F... Compiling ccsdt_lr_alpha1_1_8_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_8_1.F... Compiling ccsdt_lr_alpha1_1_8_2.F... 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Compiling OFFSET_ccsdt_lr_alpha2_11_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_lr_alpha1.o ccsdt_lr_alpha1_1.o ccsdt_lr_alpha1_1_1.o OFFSET_ccsdt_lr_alpha1_1_1.o ccsdt_lr_alpha1_1_2.o ccsdt_lr_alpha1_1_3.o ccsdt_lr_alpha1_1_4.o ccsdt_lr_alpha1_1_4_1.o OFFSET_ccsdt_lr_alpha1_1_4_1.o ccsdt_lr_alpha1_1_4_2.o ccsdt_lr_alpha1_1_4_3.o ccsdt_lr_alpha1_1_5.o ccsdt_lr_alpha1_1_5_1.o OFFSET_ccsdt_lr_alpha1_1_5_1.o ccsdt_lr_alpha1_1_5_2.o ccsdt_lr_alpha1_1_5_3.o ccsdt_lr_alpha1_1_6.o ccsdt_lr_alpha1_1_6_1.o OFFSET_ccsdt_lr_alpha1_1_6_1.o ccsdt_lr_alpha1_1_6_2.o ccsdt_lr_alpha1_1_7.o ccsdt_lr_alpha1_1_7_1.o OFFSET_ccsdt_lr_alpha1_1_7_1.o ccsdt_lr_alpha1_1_8.o ccsdt_lr_alpha1_1_8_1.o OFFSET_ccsdt_lr_alpha1_1_8_1.o ccsdt_lr_alpha1_1_8_2.o ccsdt_lr_alpha1_1_9.o ccsdt_lr_alpha1_1_9_1.o OFFSET_ccsdt_lr_alpha1_1_9_1.o ccsdt_lr_alpha1_2.o ccsdt_lr_alpha1_2_1.o OFFSET_ccsdt_lr_alpha1_2_1.o ccsdt_lr_alpha1_2_2.o ccsdt_lr_alpha1_2_3.o ccsdt_lr_alpha1_3.o ccsdt_lr_alpha1_3_1.o OFFSET_ccsdt_lr_alpha1_3_1.o ccsdt_lr_alpha1_4.o ccsdt_lr_alpha1_4_1.o OFFSET_ccsdt_lr_alpha1_4_1.o ccsdt_lr_alpha1_4_2.o ccsdt_lr_alpha2.o ccsdt_lr_alpha2_1.o ccsdt_lr_alpha2_1_1.o OFFSET_ccsdt_lr_alpha2_1_1.o ccsdt_lr_alpha2_2.o ccsdt_lr_alpha2_2_1.o OFFSET_ccsdt_lr_alpha2_2_1.o ccsdt_lr_alpha2_2_1_1.o OFFSET_ccsdt_lr_alpha2_2_1_1.o ccsdt_lr_alpha2_2_1_2.o ccsdt_lr_alpha2_2_1_3.o ccsdt_lr_alpha2_2_2.o ccsdt_lr_alpha2_2_2_1.o OFFSET_ccsdt_lr_alpha2_2_2_1.o ccsdt_lr_alpha2_2_2_2.o ccsdt_lr_alpha2_2_2_3.o ccsdt_lr_alpha2_2_3.o ccsdt_lr_alpha2_2_3_1.o OFFSET_ccsdt_lr_alpha2_2_3_1.o ccsdt_lr_alpha2_2_3_2.o ccsdt_lr_alpha2_2_4.o ccsdt_lr_alpha2_2_4_1.o OFFSET_ccsdt_lr_alpha2_2_4_1.o ccsdt_lr_alpha2_2_5.o ccsdt_lr_alpha2_2_5_1.o OFFSET_ccsdt_lr_alpha2_2_5_1.o ccsdt_lr_alpha2_2_5_2.o ccsdt_lr_alpha2_2_6.o ccsdt_lr_alpha2_2_6_1.o OFFSET_ccsdt_lr_alpha2_2_6_1.o ccsdt_lr_alpha2_3.o ccsdt_lr_alpha2_3_1.o 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OFFSET_ccsdt_lr_alpha2_5_4_1.o ccsdt_lr_alpha2_6.o ccsdt_lr_alpha2_6_1.o OFFSET_ccsdt_lr_alpha2_6_1.o ccsdt_lr_alpha2_6_1_1.o OFFSET_ccsdt_lr_alpha2_6_1_1.o ccsdt_lr_alpha2_6_2.o ccsdt_lr_alpha2_6_2_1.o OFFSET_ccsdt_lr_alpha2_6_2_1.o ccsdt_lr_alpha2_6_2_2.o ccsdt_lr_alpha2_6_3.o ccsdt_lr_alpha2_6_3_1.o OFFSET_ccsdt_lr_alpha2_6_3_1.o ccsdt_lr_alpha2_6_3_2.o ccsdt_lr_alpha2_6_3_2_1.o OFFSET_ccsdt_lr_alpha2_6_3_2_1.o ccsdt_lr_alpha2_6_3_3.o ccsdt_lr_alpha2_6_3_3_1.o OFFSET_ccsdt_lr_alpha2_6_3_3_1.o ccsdt_lr_alpha2_6_3_4.o ccsdt_lr_alpha2_6_3_4_1.o OFFSET_ccsdt_lr_alpha2_6_3_4_1.o ccsdt_lr_alpha2_6_3_5.o ccsdt_lr_alpha2_6_3_5_1.o OFFSET_ccsdt_lr_alpha2_6_3_5_1.o ccsdt_lr_alpha2_6_3_6.o ccsdt_lr_alpha2_6_3_6_1.o OFFSET_ccsdt_lr_alpha2_6_3_6_1.o ccsdt_lr_alpha2_6_3_7.o ccsdt_lr_alpha2_6_3_7_1.o OFFSET_ccsdt_lr_alpha2_6_3_7_1.o ccsdt_lr_alpha2_6_4.o ccsdt_lr_alpha2_6_4_1.o OFFSET_ccsdt_lr_alpha2_6_4_1.o ccsdt_lr_alpha2_6_4_2.o ccsdt_lr_alpha2_6_5.o ccsdt_lr_alpha2_6_5_1.o OFFSET_ccsdt_lr_alpha2_6_5_1.o ccsdt_lr_alpha2_6_6.o ccsdt_lr_alpha2_6_6_1.o OFFSET_ccsdt_lr_alpha2_6_6_1.o ccsdt_lr_alpha2_6_7.o ccsdt_lr_alpha2_6_7_1.o OFFSET_ccsdt_lr_alpha2_6_7_1.o ccsdt_lr_alpha2_6_8.o ccsdt_lr_alpha2_6_8_1.o OFFSET_ccsdt_lr_alpha2_6_8_1.o ccsdt_lr_alpha2_6_9.o ccsdt_lr_alpha2_6_9_1.o OFFSET_ccsdt_lr_alpha2_6_9_1.o ccsdt_lr_alpha2_6_9_2.o ccsdt_lr_alpha2_6_10.o ccsdt_lr_alpha2_6_10_1.o OFFSET_ccsdt_lr_alpha2_6_10_1.o ccsdt_lr_alpha2_6_10_2.o ccsdt_lr_alpha2_6_10_2_1.o OFFSET_ccsdt_lr_alpha2_6_10_2_1.o ccsdt_lr_alpha2_6_10_3.o ccsdt_lr_alpha2_6_10_3_1.o OFFSET_ccsdt_lr_alpha2_6_10_3_1.o ccsdt_lr_alpha2_6_10_4.o ccsdt_lr_alpha2_6_10_4_1.o OFFSET_ccsdt_lr_alpha2_6_10_4_1.o ccsdt_lr_alpha2_6_10_5.o ccsdt_lr_alpha2_6_10_5_1.o OFFSET_ccsdt_lr_alpha2_6_10_5_1.o ccsdt_lr_alpha2_6_10_6.o ccsdt_lr_alpha2_6_10_6_1.o OFFSET_ccsdt_lr_alpha2_6_10_6_1.o ccsdt_lr_alpha2_6_10_7.o ccsdt_lr_alpha2_6_10_7_1.o OFFSET_ccsdt_lr_alpha2_6_10_7_1.o ccsdt_lr_alpha2_6_11.o ccsdt_lr_alpha2_6_11_1.o OFFSET_ccsdt_lr_alpha2_6_11_1.o ccsdt_lr_alpha2_6_11_2.o ccsdt_lr_alpha2_6_12.o ccsdt_lr_alpha2_6_12_1.o OFFSET_ccsdt_lr_alpha2_6_12_1.o ccsdt_lr_alpha2_6_13.o ccsdt_lr_alpha2_6_13_1.o OFFSET_ccsdt_lr_alpha2_6_13_1.o ccsdt_lr_alpha2_6_14.o ccsdt_lr_alpha2_6_14_1.o OFFSET_ccsdt_lr_alpha2_6_14_1.o ccsdt_lr_alpha2_6_15.o ccsdt_lr_alpha2_6_15_1.o OFFSET_ccsdt_lr_alpha2_6_15_1.o ccsdt_lr_alpha2_6_15_1_1.o OFFSET_ccsdt_lr_alpha2_6_15_1_1.o ccsdt_lr_alpha2_6_15_2.o ccsdt_lr_alpha2_6_15_2_1.o OFFSET_ccsdt_lr_alpha2_6_15_2_1.o ccsdt_lr_alpha2_6_15_3.o ccsdt_lr_alpha2_6_15_3_1.o OFFSET_ccsdt_lr_alpha2_6_15_3_1.o ccsdt_lr_alpha2_6_15_4.o ccsdt_lr_alpha2_6_15_4_1.o OFFSET_ccsdt_lr_alpha2_6_15_4_1.o ccsdt_lr_alpha2_6_15_5.o ccsdt_lr_alpha2_6_15_5_1.o OFFSET_ccsdt_lr_alpha2_6_15_5_1.o ccsdt_lr_alpha2_6_15_6.o ccsdt_lr_alpha2_6_15_6_1.o OFFSET_ccsdt_lr_alpha2_6_15_6_1.o ccsdt_lr_alpha2_6_16.o ccsdt_lr_alpha2_6_16_1.o OFFSET_ccsdt_lr_alpha2_6_16_1.o ccsdt_lr_alpha2_6_16_1_1.o OFFSET_ccsdt_lr_alpha2_6_16_1_1.o ccsdt_lr_alpha2_6_16_2.o ccsdt_lr_alpha2_6_16_2_1.o OFFSET_ccsdt_lr_alpha2_6_16_2_1.o ccsdt_lr_alpha2_6_17.o ccsdt_lr_alpha2_6_17_1.o OFFSET_ccsdt_lr_alpha2_6_17_1.o ccsdt_lr_alpha2_6_17_1_1.o OFFSET_ccsdt_lr_alpha2_6_17_1_1.o ccsdt_lr_alpha2_6_17_2.o ccsdt_lr_alpha2_6_17_2_1.o OFFSET_ccsdt_lr_alpha2_6_17_2_1.o ccsdt_lr_alpha2_6_18.o ccsdt_lr_alpha2_6_18_1.o OFFSET_ccsdt_lr_alpha2_6_18_1.o ccsdt_lr_alpha2_6_18_1_1.o OFFSET_ccsdt_lr_alpha2_6_18_1_1.o ccsdt_lr_alpha2_6_18_2.o ccsdt_lr_alpha2_6_18_2_1.o OFFSET_ccsdt_lr_alpha2_6_18_2_1.o ccsdt_lr_alpha2_7.o ccsdt_lr_alpha2_7_1.o OFFSET_ccsdt_lr_alpha2_7_1.o ccsdt_lr_alpha2_7_1_1.o OFFSET_ccsdt_lr_alpha2_7_1_1.o ccsdt_lr_alpha2_7_1_2.o ccsdt_lr_alpha2_7_1_3.o ccsdt_lr_alpha2_7_1_3_1.o OFFSET_ccsdt_lr_alpha2_7_1_3_1.o ccsdt_lr_alpha2_7_1_3_2.o ccsdt_lr_alpha2_7_1_4.o ccsdt_lr_alpha2_7_1_4_1.o OFFSET_ccsdt_lr_alpha2_7_1_4_1.o ccsdt_lr_alpha2_7_1_4_2.o ccsdt_lr_alpha2_7_2.o ccsdt_lr_alpha2_7_2_1.o OFFSET_ccsdt_lr_alpha2_7_2_1.o ccsdt_lr_alpha2_7_3.o ccsdt_lr_alpha2_7_3_1.o OFFSET_ccsdt_lr_alpha2_7_3_1.o ccsdt_lr_alpha2_7_3_2.o ccsdt_lr_alpha2_7_4.o ccsdt_lr_alpha2_7_4_1.o OFFSET_ccsdt_lr_alpha2_7_4_1.o ccsdt_lr_alpha2_7_4_1_1.o OFFSET_ccsdt_lr_alpha2_7_4_1_1.o ccsdt_lr_alpha2_7_4_1_2.o ccsdt_lr_alpha2_7_5.o ccsdt_lr_alpha2_7_5_1.o OFFSET_ccsdt_lr_alpha2_7_5_1.o ccsdt_lr_alpha2_7_6.o ccsdt_lr_alpha2_7_6_1.o OFFSET_ccsdt_lr_alpha2_7_6_1.o ccsdt_lr_alpha2_7_7.o ccsdt_lr_alpha2_7_7_1.o OFFSET_ccsdt_lr_alpha2_7_7_1.o ccsdt_lr_alpha2_7_7_2.o ccsdt_lr_alpha2_7_7_3.o ccsdt_lr_alpha2_7_7_3_1.o OFFSET_ccsdt_lr_alpha2_7_7_3_1.o ccsdt_lr_alpha2_7_7_3_2.o ccsdt_lr_alpha2_7_7_4.o ccsdt_lr_alpha2_7_7_4_1.o OFFSET_ccsdt_lr_alpha2_7_7_4_1.o ccsdt_lr_alpha2_7_7_4_2.o ccsdt_lr_alpha2_7_8.o ccsdt_lr_alpha2_7_8_1.o OFFSET_ccsdt_lr_alpha2_7_8_1.o ccsdt_lr_alpha2_7_9.o ccsdt_lr_alpha2_7_9_1.o OFFSET_ccsdt_lr_alpha2_7_9_1.o ccsdt_lr_alpha2_7_9_2.o ccsdt_lr_alpha2_7_10.o ccsdt_lr_alpha2_7_10_1.o OFFSET_ccsdt_lr_alpha2_7_10_1.o ccsdt_lr_alpha2_7_11.o ccsdt_lr_alpha2_7_11_1.o OFFSET_ccsdt_lr_alpha2_7_11_1.o ccsdt_lr_alpha2_7_12.o ccsdt_lr_alpha2_7_12_1.o OFFSET_ccsdt_lr_alpha2_7_12_1.o ccsdt_lr_alpha2_7_12_1_1.o OFFSET_ccsdt_lr_alpha2_7_12_1_1.o ccsdt_lr_alpha2_7_12_2.o ccsdt_lr_alpha2_7_12_2_1.o OFFSET_ccsdt_lr_alpha2_7_12_2_1.o ccsdt_lr_alpha2_7_13.o ccsdt_lr_alpha2_7_13_1.o OFFSET_ccsdt_lr_alpha2_7_13_1.o ccsdt_lr_alpha2_7_13_1_1.o OFFSET_ccsdt_lr_alpha2_7_13_1_1.o ccsdt_lr_alpha2_7_13_1_2.o ccsdt_lr_alpha2_7_13_2.o ccsdt_lr_alpha2_7_13_2_1.o OFFSET_ccsdt_lr_alpha2_7_13_2_1.o ccsdt_lr_alpha2_7_13_2_2.o ccsdt_lr_alpha2_7_14.o ccsdt_lr_alpha2_7_14_1.o OFFSET_ccsdt_lr_alpha2_7_14_1.o ccsdt_lr_alpha2_7_14_1_1.o OFFSET_ccsdt_lr_alpha2_7_14_1_1.o ccsdt_lr_alpha2_7_14_2.o ccsdt_lr_alpha2_7_14_2_1.o OFFSET_ccsdt_lr_alpha2_7_14_2_1.o ccsdt_lr_alpha2_7_15.o ccsdt_lr_alpha2_7_15_1.o OFFSET_ccsdt_lr_alpha2_7_15_1.o ccsdt_lr_alpha2_7_15_1_1.o OFFSET_ccsdt_lr_alpha2_7_15_1_1.o ccsdt_lr_alpha2_7_15_2.o ccsdt_lr_alpha2_7_15_2_1.o OFFSET_ccsdt_lr_alpha2_7_15_2_1.o ccsdt_lr_alpha2_8.o ccsdt_lr_alpha2_8_1.o OFFSET_ccsdt_lr_alpha2_8_1.o ccsdt_lr_alpha2_8_1_1.o OFFSET_ccsdt_lr_alpha2_8_1_1.o ccsdt_lr_alpha2_8_2.o ccsdt_lr_alpha2_8_2_1.o OFFSET_ccsdt_lr_alpha2_8_2_1.o ccsdt_lr_alpha2_9.o ccsdt_lr_alpha2_9_1.o OFFSET_ccsdt_lr_alpha2_9_1.o ccsdt_lr_alpha2_9_1_1.o OFFSET_ccsdt_lr_alpha2_9_1_1.o ccsdt_lr_alpha2_9_1_2.o ccsdt_lr_alpha2_9_2.o ccsdt_lr_alpha2_9_2_1.o OFFSET_ccsdt_lr_alpha2_9_2_1.o ccsdt_lr_alpha2_9_2_2.o ccsdt_lr_alpha2_9_2_3.o ccsdt_lr_alpha2_9_2_3_1.o OFFSET_ccsdt_lr_alpha2_9_2_3_1.o ccsdt_lr_alpha2_9_2_4.o ccsdt_lr_alpha2_9_2_4_1.o OFFSET_ccsdt_lr_alpha2_9_2_4_1.o ccsdt_lr_alpha2_9_3.o ccsdt_lr_alpha2_9_3_1.o OFFSET_ccsdt_lr_alpha2_9_3_1.o ccsdt_lr_alpha2_9_4.o ccsdt_lr_alpha2_9_4_1.o OFFSET_ccsdt_lr_alpha2_9_4_1.o ccsdt_lr_alpha2_9_4_2.o ccsdt_lr_alpha2_9_4_3.o ccsdt_lr_alpha2_9_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_4_3_1.o ccsdt_lr_alpha2_9_4_4.o ccsdt_lr_alpha2_9_4_4_1.o OFFSET_ccsdt_lr_alpha2_9_4_4_1.o ccsdt_lr_alpha2_9_5.o ccsdt_lr_alpha2_9_5_1.o OFFSET_ccsdt_lr_alpha2_9_5_1.o ccsdt_lr_alpha2_9_6.o ccsdt_lr_alpha2_9_6_1.o OFFSET_ccsdt_lr_alpha2_9_6_1.o ccsdt_lr_alpha2_9_7.o ccsdt_lr_alpha2_9_7_1.o OFFSET_ccsdt_lr_alpha2_9_7_1.o ccsdt_lr_alpha2_9_7_2.o ccsdt_lr_alpha2_9_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_7_2_1.o ccsdt_lr_alpha2_9_7_3.o ccsdt_lr_alpha2_9_7_3_1.o OFFSET_ccsdt_lr_alpha2_9_7_3_1.o ccsdt_lr_alpha2_9_8.o ccsdt_lr_alpha2_9_8_1.o OFFSET_ccsdt_lr_alpha2_9_8_1.o ccsdt_lr_alpha2_9_9.o ccsdt_lr_alpha2_9_9_1.o OFFSET_ccsdt_lr_alpha2_9_9_1.o ccsdt_lr_alpha2_9_9_2.o ccsdt_lr_alpha2_9_10.o ccsdt_lr_alpha2_9_10_1.o OFFSET_ccsdt_lr_alpha2_9_10_1.o ccsdt_lr_alpha2_9_11.o ccsdt_lr_alpha2_9_11_1.o OFFSET_ccsdt_lr_alpha2_9_11_1.o ccsdt_lr_alpha2_9_12.o ccsdt_lr_alpha2_9_12_1.o OFFSET_ccsdt_lr_alpha2_9_12_1.o ccsdt_lr_alpha2_9_13.o ccsdt_lr_alpha2_9_13_1.o OFFSET_ccsdt_lr_alpha2_9_13_1.o ccsdt_lr_alpha2_9_13_2.o ccsdt_lr_alpha2_9_13_2_1.o OFFSET_ccsdt_lr_alpha2_9_13_2_1.o ccsdt_lr_alpha2_9_13_3.o ccsdt_lr_alpha2_9_13_3_1.o OFFSET_ccsdt_lr_alpha2_9_13_3_1.o ccsdt_lr_alpha2_9_14.o ccsdt_lr_alpha2_9_14_1.o OFFSET_ccsdt_lr_alpha2_9_14_1.o ccsdt_lr_alpha2_9_15.o ccsdt_lr_alpha2_9_15_1.o OFFSET_ccsdt_lr_alpha2_9_15_1.o ccsdt_lr_alpha2_9_15_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_1.o ccsdt_lr_alpha2_9_15_1_2.o ccsdt_lr_alpha2_9_15_1_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_2_1.o ccsdt_lr_alpha2_9_15_1_2_2.o ccsdt_lr_alpha2_9_15_1_3.o ccsdt_lr_alpha2_9_15_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_3_1.o ccsdt_lr_alpha2_9_15_1_3_2.o ccsdt_lr_alpha2_9_15_2.o ccsdt_lr_alpha2_9_15_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_2_1.o ccsdt_lr_alpha2_9_15_3.o ccsdt_lr_alpha2_9_15_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_3_1.o ccsdt_lr_alpha2_9_15_4.o ccsdt_lr_alpha2_9_15_4_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_1.o ccsdt_lr_alpha2_9_15_4_2.o ccsdt_lr_alpha2_9_15_4_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_2_1.o ccsdt_lr_alpha2_9_15_4_2_2.o ccsdt_lr_alpha2_9_15_4_3.o ccsdt_lr_alpha2_9_15_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_3_1.o ccsdt_lr_alpha2_9_15_4_3_2.o ccsdt_lr_alpha2_9_15_5.o ccsdt_lr_alpha2_9_15_5_1.o OFFSET_ccsdt_lr_alpha2_9_15_5_1.o ccsdt_lr_alpha2_9_15_6.o ccsdt_lr_alpha2_9_15_6_1.o OFFSET_ccsdt_lr_alpha2_9_15_6_1.o ccsdt_lr_alpha2_9_15_7.o ccsdt_lr_alpha2_9_15_7_1.o OFFSET_ccsdt_lr_alpha2_9_15_7_1.o ccsdt_lr_alpha2_9_15_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_7_1_1.o ccsdt_lr_alpha2_9_15_8.o ccsdt_lr_alpha2_9_15_8_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_1.o ccsdt_lr_alpha2_9_15_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_1_1.o ccsdt_lr_alpha2_9_15_8_2.o ccsdt_lr_alpha2_9_15_8_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_2_1.o ccsdt_lr_alpha2_9_16.o ccsdt_lr_alpha2_9_16_1.o OFFSET_ccsdt_lr_alpha2_9_16_1.o ccsdt_lr_alpha2_9_16_1_1.o OFFSET_ccsdt_lr_alpha2_9_16_1_1.o ccsdt_lr_alpha2_9_16_2.o ccsdt_lr_alpha2_9_16_2_1.o OFFSET_ccsdt_lr_alpha2_9_16_2_1.o ccsdt_lr_alpha2_9_17.o ccsdt_lr_alpha2_9_17_1.o OFFSET_ccsdt_lr_alpha2_9_17_1.o ccsdt_lr_alpha2_9_17_1_1.o OFFSET_ccsdt_lr_alpha2_9_17_1_1.o ccsdt_lr_alpha2_9_17_2.o ccsdt_lr_alpha2_9_17_2_1.o OFFSET_ccsdt_lr_alpha2_9_17_2_1.o ccsdt_lr_alpha2_9_18.o ccsdt_lr_alpha2_9_18_1.o OFFSET_ccsdt_lr_alpha2_9_18_1.o ccsdt_lr_alpha2_9_18_1_1.o OFFSET_ccsdt_lr_alpha2_9_18_1_1.o ccsdt_lr_alpha2_9_18_2.o ccsdt_lr_alpha2_9_18_2_1.o OFFSET_ccsdt_lr_alpha2_9_18_2_1.o ccsdt_lr_alpha2_9_19.o ccsdt_lr_alpha2_9_19_1.o OFFSET_ccsdt_lr_alpha2_9_19_1.o ccsdt_lr_alpha2_9_19_1_1.o OFFSET_ccsdt_lr_alpha2_9_19_1_1.o ccsdt_lr_alpha2_9_19_2.o ccsdt_lr_alpha2_9_19_2_1.o OFFSET_ccsdt_lr_alpha2_9_19_2_1.o ccsdt_lr_alpha2_9_19_3.o ccsdt_lr_alpha2_9_19_3_1.o OFFSET_ccsdt_lr_alpha2_9_19_3_1.o ccsdt_lr_alpha2_9_19_4.o ccsdt_lr_alpha2_9_19_4_1.o OFFSET_ccsdt_lr_alpha2_9_19_4_1.o ccsdt_lr_alpha2_9_20.o ccsdt_lr_alpha2_9_20_1.o OFFSET_ccsdt_lr_alpha2_9_20_1.o ccsdt_lr_alpha2_9_20_1_1.o OFFSET_ccsdt_lr_alpha2_9_20_1_1.o ccsdt_lr_alpha2_9_20_2.o ccsdt_lr_alpha2_9_20_2_1.o OFFSET_ccsdt_lr_alpha2_9_20_2_1.o ccsdt_lr_alpha2_9_21.o ccsdt_lr_alpha2_9_21_1.o OFFSET_ccsdt_lr_alpha2_9_21_1.o ccsdt_lr_alpha2_9_21_1_1.o OFFSET_ccsdt_lr_alpha2_9_21_1_1.o ccsdt_lr_alpha2_9_21_2.o ccsdt_lr_alpha2_9_21_2_1.o OFFSET_ccsdt_lr_alpha2_9_21_2_1.o ccsdt_lr_alpha2_9_22.o ccsdt_lr_alpha2_9_22_1.o OFFSET_ccsdt_lr_alpha2_9_22_1.o ccsdt_lr_alpha2_9_22_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_1.o ccsdt_lr_alpha2_9_22_1_2.o ccsdt_lr_alpha2_9_22_1_3.o ccsdt_lr_alpha2_9_22_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_3_1.o ccsdt_lr_alpha2_9_22_1_3_2.o ccsdt_lr_alpha2_9_22_1_4.o ccsdt_lr_alpha2_9_22_1_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_4_1.o ccsdt_lr_alpha2_9_22_1_4_2.o ccsdt_lr_alpha2_9_22_2.o ccsdt_lr_alpha2_9_22_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_2_1.o ccsdt_lr_alpha2_9_22_3.o ccsdt_lr_alpha2_9_22_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_3_1.o ccsdt_lr_alpha2_9_22_4.o ccsdt_lr_alpha2_9_22_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_1.o ccsdt_lr_alpha2_9_22_4_2.o ccsdt_lr_alpha2_9_22_4_3.o ccsdt_lr_alpha2_9_22_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_3_1.o ccsdt_lr_alpha2_9_22_4_3_2.o ccsdt_lr_alpha2_9_22_4_4.o ccsdt_lr_alpha2_9_22_4_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_4_1.o ccsdt_lr_alpha2_9_22_4_4_2.o ccsdt_lr_alpha2_9_22_5.o ccsdt_lr_alpha2_9_22_5_1.o OFFSET_ccsdt_lr_alpha2_9_22_5_1.o ccsdt_lr_alpha2_9_22_6.o ccsdt_lr_alpha2_9_22_6_1.o OFFSET_ccsdt_lr_alpha2_9_22_6_1.o ccsdt_lr_alpha2_9_22_7.o ccsdt_lr_alpha2_9_22_7_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_1.o ccsdt_lr_alpha2_9_22_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_1_1.o ccsdt_lr_alpha2_9_22_7_2.o ccsdt_lr_alpha2_9_22_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_2_1.o ccsdt_lr_alpha2_9_22_8.o ccsdt_lr_alpha2_9_22_8_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_1.o ccsdt_lr_alpha2_9_22_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_1_1.o ccsdt_lr_alpha2_9_22_8_1_2.o ccsdt_lr_alpha2_9_22_8_2.o ccsdt_lr_alpha2_9_22_8_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_2_1.o ccsdt_lr_alpha2_9_22_8_2_2.o ccsdt_lr_alpha2_9_22_9.o ccsdt_lr_alpha2_9_22_9_1.o OFFSET_ccsdt_lr_alpha2_9_22_9_1.o 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ccsdt_lr_alpha2_9_31_4_1.o OFFSET_ccsdt_lr_alpha2_9_31_4_1.o ccsdt_lr_alpha2_9_32.o ccsdt_lr_alpha2_9_32_1.o OFFSET_ccsdt_lr_alpha2_9_32_1.o ccsdt_lr_alpha2_9_32_1_1.o OFFSET_ccsdt_lr_alpha2_9_32_1_1.o ccsdt_lr_alpha2_9_32_2.o ccsdt_lr_alpha2_9_32_2_1.o OFFSET_ccsdt_lr_alpha2_9_32_2_1.o ccsdt_lr_alpha2_9_33.o ccsdt_lr_alpha2_9_33_1.o OFFSET_ccsdt_lr_alpha2_9_33_1.o ccsdt_lr_alpha2_9_33_1_1.o OFFSET_ccsdt_lr_alpha2_9_33_1_1.o ccsdt_lr_alpha2_9_33_2.o ccsdt_lr_alpha2_9_33_2_1.o OFFSET_ccsdt_lr_alpha2_9_33_2_1.o ccsdt_lr_alpha2_9_34.o ccsdt_lr_alpha2_9_34_1.o OFFSET_ccsdt_lr_alpha2_9_34_1.o ccsdt_lr_alpha2_9_34_1_1.o OFFSET_ccsdt_lr_alpha2_9_34_1_1.o ccsdt_lr_alpha2_9_34_2.o ccsdt_lr_alpha2_9_34_2_1.o OFFSET_ccsdt_lr_alpha2_9_34_2_1.o ccsdt_lr_alpha2_10.o ccsdt_lr_alpha2_10_1.o OFFSET_ccsdt_lr_alpha2_10_1.o ccsdt_lr_alpha2_10_1_1.o OFFSET_ccsdt_lr_alpha2_10_1_1.o ccsdt_lr_alpha2_10_2.o ccsdt_lr_alpha2_10_2_1.o OFFSET_ccsdt_lr_alpha2_10_2_1.o ccsdt_lr_alpha2_10_3.o ccsdt_lr_alpha2_10_3_1.o 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/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdt_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_lambda_o1.F... Compiling ccsdt_lambda_o1_1.F... Compiling ccsdt_lambda_o1_1_1.F... Compiling OFFSET_ccsdt_lambda_o1_1_1.F... Compiling ccsdt_lambda_o1_1_2.F... Compiling ccsdt_lambda_o1_2.F... Compiling ccsdt_lambda_o1_3.F... Compiling ccsdt_lambda_o1_4.F... Compiling ccsdt_lambda_o1_4_1.F... Compiling OFFSET_ccsdt_lambda_o1_4_1.F... Compiling ccsdt_lambda_o1_4_2.F... Compiling ccsdt_lambda_o1_4_3.F... Compiling ccsdt_lambda_o1_5.F... Compiling ccsdt_lambda_o1_5_1.F... Compiling OFFSET_ccsdt_lambda_o1_5_1.F... Compiling ccsdt_lambda_o1_6.F... Compiling ccsdt_lambda_o1_6_1.F... Compiling OFFSET_ccsdt_lambda_o1_6_1.F... Compiling ccsdt_lambda_o2.F... Compiling ccsdt_lambda_o2_1.F... Compiling ccsdt_lambda_o2_2.F... Compiling ccsdt_lambda_o2_2_1.F... Compiling OFFSET_ccsdt_lambda_o2_2_1.F... Compiling ccsdt_lambda_o2_2_2.F... Compiling ccsdt_lambda_o2_3.F... Compiling ccsdt_lambda_o2_4.F... Compiling ccsdt_lambda_o2_4_1.F... Compiling OFFSET_ccsdt_lambda_o2_4_1.F... Compiling ccsdt_lambda_o2_4_2.F... 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Compiling ccsdt_y_tr3_4.F... Compiling ccsdt_y_tr3_4_1.F... Compiling OFFSET_ccsdt_y_tr3_4_1.F... Compiling ccsdt_y_tr3_4_1_1.F... Compiling OFFSET_ccsdt_y_tr3_4_1_1.F... Compiling ccsdt_y_tr3_4_1_2.F... Compiling ccsdt_y_tr3_4_2.F... Compiling ccsdt_y_tr3_4_3.F... Compiling ccsdt_y_tr3_4_4.F... Compiling ccsdt_y_tr3_4_4_1.F... Compiling OFFSET_ccsdt_y_tr3_4_4_1.F... Compiling ccsdt_y_tr3_5.F... Compiling ccsdt_y_tr3_5_1.F... Compiling OFFSET_ccsdt_y_tr3_5_1.F... Compiling ccsdt_y_tr3_6.F... Compiling ccsdt_y_tr3_6_1.F... Compiling OFFSET_ccsdt_y_tr3_6_1.F... Compiling ccsdt_y_tr3_6_1_1.F... Compiling OFFSET_ccsdt_y_tr3_6_1_1.F... Compiling ccsdt_y_tr3_6_1_2.F... Compiling ccsdt_y_tr3_6_2.F... Compiling ccsdt_y_tr3_6_3.F... Compiling ccsdt_y_tr3_6_3_1.F... Compiling OFFSET_ccsdt_y_tr3_6_3_1.F... Compiling ccsdt_y_tr3_7.F... Compiling ccsdt_y_tr3_7_1.F... Compiling OFFSET_ccsdt_y_tr3_7_1.F... Compiling ccsdt_y_tr3_8.F... Compiling ccsdt_y_tr3_8_1.F... Compiling OFFSET_ccsdt_y_tr3_8_1.F... Compiling ccsdt_y_tr3_8_2.F... Compiling ccsdt_y_tr3_8_3.F... Compiling ccsdt_y_tr3_8_3_1.F... Compiling OFFSET_ccsdt_y_tr3_8_3_1.F... Compiling ccsdt_y_tr3_8_4.F... Compiling ccsdt_y_tr3_8_4_1.F... Compiling OFFSET_ccsdt_y_tr3_8_4_1.F... Compiling ccsdt_y_tr3_9.F... Compiling ccsdt_y_tr3_9_1.F... Compiling OFFSET_ccsdt_y_tr3_9_1.F... Compiling ccsdt_y_tr3_10.F... Compiling ccsdt_y_tr3_10_1.F... Compiling OFFSET_ccsdt_y_tr3_10_1.F... Compiling ccsdt_y_tr3_10_2.F... Compiling ccsdt_y_tr3_10_3.F... Compiling ccsdt_y_tr3_10_3_1.F... Compiling OFFSET_ccsdt_y_tr3_10_3_1.F... Compiling ccsdt_y_tr3_10_4.F... Compiling ccsdt_y_tr3_10_4_1.F... Compiling OFFSET_ccsdt_y_tr3_10_4_1.F... Compiling ccsdt_y_tr3_11.F... Compiling ccsdt_y_tr3_11_1.F... Compiling OFFSET_ccsdt_y_tr3_11_1.F... Compiling ccsdt_y_tr3_12.F... Compiling ccsdt_y_tr3_12_1.F... Compiling OFFSET_ccsdt_y_tr3_12_1.F... Compiling ccsdt_y_tr3_12_2.F... Compiling ccsdt_y_tr3_12_2_1.F... Compiling OFFSET_ccsdt_y_tr3_12_2_1.F... Compiling ccsdt_y_tr3_12_3.F... Compiling ccsdt_y_tr3_12_3_1.F... Compiling OFFSET_ccsdt_y_tr3_12_3_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_lambda_o1.o ccsdt_lambda_o1_1.o ccsdt_lambda_o1_1_1.o OFFSET_ccsdt_lambda_o1_1_1.o ccsdt_lambda_o1_1_2.o ccsdt_lambda_o1_2.o ccsdt_lambda_o1_3.o ccsdt_lambda_o1_4.o ccsdt_lambda_o1_4_1.o OFFSET_ccsdt_lambda_o1_4_1.o ccsdt_lambda_o1_4_2.o ccsdt_lambda_o1_4_3.o ccsdt_lambda_o1_5.o ccsdt_lambda_o1_5_1.o OFFSET_ccsdt_lambda_o1_5_1.o ccsdt_lambda_o1_6.o ccsdt_lambda_o1_6_1.o OFFSET_ccsdt_lambda_o1_6_1.o ccsdt_lambda_o2.o ccsdt_lambda_o2_1.o ccsdt_lambda_o2_2.o ccsdt_lambda_o2_2_1.o OFFSET_ccsdt_lambda_o2_2_1.o ccsdt_lambda_o2_2_2.o ccsdt_lambda_o2_3.o ccsdt_lambda_o2_4.o ccsdt_lambda_o2_4_1.o OFFSET_ccsdt_lambda_o2_4_1.o ccsdt_lambda_o2_4_2.o ccsdt_lambda_o2_5.o ccsdt_lambda_o2_5_1.o OFFSET_ccsdt_lambda_o2_5_1.o ccsdt_lambda_o3.o ccsdt_lambda_o3_1.o ccsdt_lambda_o3_2.o ccsdt_lambda_o3_3.o ccsdt_lambda_o3_4.o ccsdt_lambda_o3_4_1.o OFFSET_ccsdt_lambda_o3_4_1.o ccsdt_lambda_o3_5.o ccsdt_lambda_o3_5_1.o OFFSET_ccsdt_lambda_o3_5_1.o ccsdt_y_tr1.o ccsdt_y_tr1_1.o ccsdt_y_tr1_1_1.o OFFSET_ccsdt_y_tr1_1_1.o ccsdt_y_tr1_1_1_1.o OFFSET_ccsdt_y_tr1_1_1_1.o ccsdt_y_tr1_1_1_2.o ccsdt_y_tr1_1_2.o ccsdt_y_tr1_1_3.o ccsdt_y_tr1_1_4.o ccsdt_y_tr1_1_4_1.o OFFSET_ccsdt_y_tr1_1_4_1.o ccsdt_y_tr1_2.o ccsdt_y_tr1_2_1.o OFFSET_ccsdt_y_tr1_2_1.o ccsdt_y_tr1_2_2.o ccsdt_y_tr1_2_3.o ccsdt_y_tr1_3.o ccsdt_y_tr1_3_1.o OFFSET_ccsdt_y_tr1_3_1.o ccsdt_y_tr1_3_2.o ccsdt_y_tr1_3_3.o ccsdt_y_tr1_4.o ccsdt_y_tr1_4_1.o OFFSET_ccsdt_y_tr1_4_1.o ccsdt_y_tr1_4_2.o ccsdt_y_tr1_4_3.o ccsdt_y_tr1_5.o ccsdt_y_tr1_5_1.o OFFSET_ccsdt_y_tr1_5_1.o ccsdt_y_tr1_5_2.o ccsdt_y_tr1_5_2_1.o OFFSET_ccsdt_y_tr1_5_2_1.o ccsdt_y_tr1_5_3.o ccsdt_y_tr1_5_3_1.o OFFSET_ccsdt_y_tr1_5_3_1.o ccsdt_y_tr1_6.o ccsdt_y_tr1_6_1.o OFFSET_ccsdt_y_tr1_6_1.o ccsdt_y_tr1_6_1_1.o OFFSET_ccsdt_y_tr1_6_1_1.o ccsdt_y_tr1_6_1_2.o ccsdt_y_tr1_6_1_2_1.o OFFSET_ccsdt_y_tr1_6_1_2_1.o ccsdt_y_tr1_6_1_2_2.o ccsdt_y_tr1_6_1_3.o ccsdt_y_tr1_6_2.o ccsdt_y_tr1_6_2_1.o OFFSET_ccsdt_y_tr1_6_2_1.o ccsdt_y_tr1_6_2_2.o ccsdt_y_tr1_6_3.o ccsdt_y_tr1_6_3_1.o OFFSET_ccsdt_y_tr1_6_3_1.o ccsdt_y_tr1_6_3_2.o ccsdt_y_tr1_6_4.o ccsdt_y_tr1_6_4_1.o OFFSET_ccsdt_y_tr1_6_4_1.o ccsdt_y_tr1_6_4_2.o ccsdt_y_tr1_6_5.o ccsdt_y_tr1_6_6.o ccsdt_y_tr1_6_7.o ccsdt_y_tr1_6_7_1.o OFFSET_ccsdt_y_tr1_6_7_1.o ccsdt_y_tr1_6_7_1_1.o OFFSET_ccsdt_y_tr1_6_7_1_1.o ccsdt_y_tr1_6_7_1_2.o ccsdt_y_tr1_6_7_2.o ccsdt_y_tr1_6_7_3.o ccsdt_y_tr1_6_7_3_1.o OFFSET_ccsdt_y_tr1_6_7_3_1.o ccsdt_y_tr1_6_8.o ccsdt_y_tr1_6_8_1.o OFFSET_ccsdt_y_tr1_6_8_1.o ccsdt_y_tr1_6_9.o ccsdt_y_tr1_6_9_1.o OFFSET_ccsdt_y_tr1_6_9_1.o ccsdt_y_tr1_6_10.o ccsdt_y_tr1_6_10_1.o OFFSET_ccsdt_y_tr1_6_10_1.o ccsdt_y_tr1_7.o ccsdt_y_tr1_7_1.o OFFSET_ccsdt_y_tr1_7_1.o ccsdt_y_tr1_7_2.o ccsdt_y_tr1_8.o ccsdt_y_tr1_8_1.o OFFSET_ccsdt_y_tr1_8_1.o ccsdt_y_tr1_9.o ccsdt_y_tr1_9_1.o OFFSET_ccsdt_y_tr1_9_1.o ccsdt_y_tr1_9_2.o ccsdt_y_tr1_9_3.o ccsdt_y_tr1_9_3_1.o OFFSET_ccsdt_y_tr1_9_3_1.o ccsdt_y_tr1_9_3_2.o ccsdt_y_tr1_9_3_3.o ccsdt_y_tr1_9_4.o ccsdt_y_tr1_9_4_1.o OFFSET_ccsdt_y_tr1_9_4_1.o ccsdt_y_tr1_9_4_2.o ccsdt_y_tr1_9_4_3.o ccsdt_y_tr1_9_5.o ccsdt_y_tr1_9_5_1.o OFFSET_ccsdt_y_tr1_9_5_1.o ccsdt_y_tr1_9_5_2.o ccsdt_y_tr1_9_5_2_1.o OFFSET_ccsdt_y_tr1_9_5_2_1.o ccsdt_y_tr1_9_5_2_2.o ccsdt_y_tr1_9_6.o ccsdt_y_tr1_9_6_1.o OFFSET_ccsdt_y_tr1_9_6_1.o ccsdt_y_tr1_9_7.o ccsdt_y_tr1_9_7_1.o OFFSET_ccsdt_y_tr1_9_7_1.o ccsdt_y_tr1_9_7_2.o ccsdt_y_tr1_9_7_2_1.o OFFSET_ccsdt_y_tr1_9_7_2_1.o ccsdt_y_tr1_9_7_2_2.o ccsdt_y_tr1_9_8.o ccsdt_y_tr1_9_8_1.o OFFSET_ccsdt_y_tr1_9_8_1.o ccsdt_y_tr1_10.o ccsdt_y_tr1_10_1.o OFFSET_ccsdt_y_tr1_10_1.o ccsdt_y_tr1_10_2.o ccsdt_y_tr1_10_3.o ccsdt_y_tr1_10_3_1.o OFFSET_ccsdt_y_tr1_10_3_1.o ccsdt_y_tr1_10_3_2.o ccsdt_y_tr1_10_3_3.o ccsdt_y_tr1_10_3_3_1.o OFFSET_ccsdt_y_tr1_10_3_3_1.o ccsdt_y_tr1_10_3_3_2.o ccsdt_y_tr1_10_3_4.o ccsdt_y_tr1_10_3_4_1.o OFFSET_ccsdt_y_tr1_10_3_4_1.o ccsdt_y_tr1_10_3_4_2.o ccsdt_y_tr1_10_4.o ccsdt_y_tr1_10_4_1.o OFFSET_ccsdt_y_tr1_10_4_1.o ccsdt_y_tr1_10_5.o ccsdt_y_tr1_10_5_1.o OFFSET_ccsdt_y_tr1_10_5_1.o ccsdt_y_tr1_10_5_2.o ccsdt_y_tr1_10_6.o ccsdt_y_tr1_10_6_1.o OFFSET_ccsdt_y_tr1_10_6_1.o ccsdt_y_tr1_10_7.o ccsdt_y_tr1_10_7_1.o OFFSET_ccsdt_y_tr1_10_7_1.o ccsdt_y_tr1_10_8.o ccsdt_y_tr1_10_8_1.o OFFSET_ccsdt_y_tr1_10_8_1.o ccsdt_y_tr1_10_8_1_1.o OFFSET_ccsdt_y_tr1_10_8_1_1.o ccsdt_y_tr1_10_8_1_2.o ccsdt_y_tr1_10_9.o ccsdt_y_tr1_10_9_1.o OFFSET_ccsdt_y_tr1_10_9_1.o ccsdt_y_tr1_10_9_2.o ccsdt_y_tr1_10_9_3.o ccsdt_y_tr1_10_9_3_1.o OFFSET_ccsdt_y_tr1_10_9_3_1.o ccsdt_y_tr1_10_9_3_2.o ccsdt_y_tr1_10_10.o ccsdt_y_tr1_10_10_1.o OFFSET_ccsdt_y_tr1_10_10_1.o ccsdt_y_tr1_10_11.o ccsdt_y_tr1_10_11_1.o OFFSET_ccsdt_y_tr1_10_11_1.o ccsdt_y_tr1_10_11_2.o ccsdt_y_tr1_10_12.o ccsdt_y_tr1_10_12_1.o OFFSET_ccsdt_y_tr1_10_12_1.o ccsdt_y_tr1_10_13.o ccsdt_y_tr1_10_13_1.o OFFSET_ccsdt_y_tr1_10_13_1.o ccsdt_y_tr1_10_14.o ccsdt_y_tr1_10_14_1.o OFFSET_ccsdt_y_tr1_10_14_1.o ccsdt_y_tr1_10_14_1_1.o OFFSET_ccsdt_y_tr1_10_14_1_1.o ccsdt_y_tr1_10_14_1_2.o ccsdt_y_tr1_10_15.o ccsdt_y_tr1_10_15_1.o OFFSET_ccsdt_y_tr1_10_15_1.o ccsdt_y_tr1_10_15_1_1.o OFFSET_ccsdt_y_tr1_10_15_1_1.o ccsdt_y_tr1_10_16.o ccsdt_y_tr1_10_16_1.o OFFSET_ccsdt_y_tr1_10_16_1.o ccsdt_y_tr1_10_16_1_1.o OFFSET_ccsdt_y_tr1_10_16_1_1.o ccsdt_y_tr1_10_16_2.o ccsdt_y_tr1_10_16_2_1.o OFFSET_ccsdt_y_tr1_10_16_2_1.o ccsdt_y_tr1_11.o ccsdt_y_tr1_11_1.o OFFSET_ccsdt_y_tr1_11_1.o ccsdt_y_tr1_11_2.o ccsdt_y_tr1_11_3.o ccsdt_y_tr1_11_3_1.o OFFSET_ccsdt_y_tr1_11_3_1.o ccsdt_y_tr1_11_4.o ccsdt_y_tr1_11_4_1.o OFFSET_ccsdt_y_tr1_11_4_1.o ccsdt_y_tr1_11_5.o ccsdt_y_tr1_11_5_1.o OFFSET_ccsdt_y_tr1_11_5_1.o ccsdt_y_tr1_11_6.o ccsdt_y_tr1_11_6_1.o OFFSET_ccsdt_y_tr1_11_6_1.o ccsdt_y_tr1_12.o ccsdt_y_tr1_12_1.o OFFSET_ccsdt_y_tr1_12_1.o ccsdt_y_tr1_12_2.o ccsdt_y_tr1_12_3.o ccsdt_y_tr1_12_3_1.o OFFSET_ccsdt_y_tr1_12_3_1.o ccsdt_y_tr1_12_3_2.o ccsdt_y_tr1_12_4.o ccsdt_y_tr1_12_4_1.o OFFSET_ccsdt_y_tr1_12_4_1.o ccsdt_y_tr1_12_4_2.o ccsdt_y_tr1_12_5.o ccsdt_y_tr1_12_5_1.o OFFSET_ccsdt_y_tr1_12_5_1.o ccsdt_y_tr1_12_6.o ccsdt_y_tr1_12_6_1.o OFFSET_ccsdt_y_tr1_12_6_1.o ccsdt_y_tr1_13.o ccsdt_y_tr1_13_1.o OFFSET_ccsdt_y_tr1_13_1.o ccsdt_y_tr1_14.o ccsdt_y_tr1_14_1.o OFFSET_ccsdt_y_tr1_14_1.o ccsdt_y_tr1_14_1_1.o OFFSET_ccsdt_y_tr1_14_1_1.o ccsdt_y_tr1_14_1_2.o ccsdt_y_tr1_14_1_3.o ccsdt_y_tr1_14_1_4.o ccsdt_y_tr1_14_1_4_1.o OFFSET_ccsdt_y_tr1_14_1_4_1.o ccsdt_y_tr1_14_1_4_2.o ccsdt_y_tr1_14_2.o ccsdt_y_tr1_14_2_1.o OFFSET_ccsdt_y_tr1_14_2_1.o ccsdt_y_tr1_14_2_2.o ccsdt_y_tr1_14_3.o ccsdt_y_tr1_14_3_1.o OFFSET_ccsdt_y_tr1_14_3_1.o ccsdt_y_tr1_14_3_2.o ccsdt_y_tr1_14_4.o ccsdt_y_tr1_14_5.o ccsdt_y_tr1_14_5_1.o OFFSET_ccsdt_y_tr1_14_5_1.o ccsdt_y_tr1_14_6.o ccsdt_y_tr1_14_6_1.o OFFSET_ccsdt_y_tr1_14_6_1.o ccsdt_y_tr1_14_6_2.o ccsdt_y_tr1_14_6_3.o ccsdt_y_tr1_14_6_3_1.o OFFSET_ccsdt_y_tr1_14_6_3_1.o ccsdt_y_tr1_14_6_3_2.o ccsdt_y_tr1_14_7.o ccsdt_y_tr1_14_7_1.o OFFSET_ccsdt_y_tr1_14_7_1.o ccsdt_y_tr1_14_8.o ccsdt_y_tr1_14_8_1.o OFFSET_ccsdt_y_tr1_14_8_1.o ccsdt_y_tr1_14_9.o ccsdt_y_tr1_14_9_1.o OFFSET_ccsdt_y_tr1_14_9_1.o ccsdt_y_tr1_14_10.o ccsdt_y_tr1_14_10_1.o OFFSET_ccsdt_y_tr1_14_10_1.o ccsdt_y_tr1_14_10_1_1.o OFFSET_ccsdt_y_tr1_14_10_1_1.o ccsdt_y_tr1_14_10_2.o ccsdt_y_tr1_14_10_2_1.o OFFSET_ccsdt_y_tr1_14_10_2_1.o ccsdt_y_tr1_14_11.o ccsdt_y_tr1_14_11_1.o OFFSET_ccsdt_y_tr1_14_11_1.o ccsdt_y_tr1_14_11_1_1.o OFFSET_ccsdt_y_tr1_14_11_1_1.o ccsdt_y_tr1_15.o ccsdt_y_tr1_15_1.o OFFSET_ccsdt_y_tr1_15_1.o ccsdt_y_tr1_16.o ccsdt_y_tr1_16_1.o OFFSET_ccsdt_y_tr1_16_1.o ccsdt_y_tr1_16_1_1.o OFFSET_ccsdt_y_tr1_16_1_1.o ccsdt_y_tr1_16_2.o ccsdt_y_tr1_16_2_1.o OFFSET_ccsdt_y_tr1_16_2_1.o ccsdt_y_tr1_17.o ccsdt_y_tr1_17_1.o OFFSET_ccsdt_y_tr1_17_1.o ccsdt_y_tr1_17_1_1.o OFFSET_ccsdt_y_tr1_17_1_1.o ccsdt_y_tr1_17_1_1_1.o OFFSET_ccsdt_y_tr1_17_1_1_1.o ccsdt_y_tr1_17_1_1_2.o ccsdt_y_tr1_17_2.o ccsdt_y_tr1_17_2_1.o OFFSET_ccsdt_y_tr1_17_2_1.o ccsdt_y_tr1_17_2_1_1.o OFFSET_ccsdt_y_tr1_17_2_1_1.o ccsdt_y_tr1_17_2_1_2.o ccsdt_y_tr1_17_3.o ccsdt_y_tr1_17_3_1.o OFFSET_ccsdt_y_tr1_17_3_1.o ccsdt_y_tr1_17_3_1_1.o OFFSET_ccsdt_y_tr1_17_3_1_1.o ccsdt_y_tr1_17_4.o ccsdt_y_tr1_17_4_1.o OFFSET_ccsdt_y_tr1_17_4_1.o ccsdt_y_tr1_17_4_1_1.o OFFSET_ccsdt_y_tr1_17_4_1_1.o ccsdt_y_tr1_17_4_2.o ccsdt_y_tr1_17_4_2_1.o OFFSET_ccsdt_y_tr1_17_4_2_1.o ccsdt_y_tr2.o ccsdt_y_tr2_1.o ccsdt_y_tr2_1_1.o OFFSET_ccsdt_y_tr2_1_1.o ccsdt_y_tr2_2.o ccsdt_y_tr2_2_1.o OFFSET_ccsdt_y_tr2_2_1.o ccsdt_y_tr2_2_2.o ccsdt_y_tr2_2_3.o ccsdt_y_tr2_3.o ccsdt_y_tr2_3_1.o OFFSET_ccsdt_y_tr2_3_1.o ccsdt_y_tr2_4.o ccsdt_y_tr2_4_1.o OFFSET_ccsdt_y_tr2_4_1.o ccsdt_y_tr2_4_1_1.o OFFSET_ccsdt_y_tr2_4_1_1.o ccsdt_y_tr2_4_1_2.o ccsdt_y_tr2_4_2.o ccsdt_y_tr2_4_3.o ccsdt_y_tr2_4_4.o ccsdt_y_tr2_4_4_1.o OFFSET_ccsdt_y_tr2_4_4_1.o ccsdt_y_tr2_5.o ccsdt_y_tr2_5_1.o OFFSET_ccsdt_y_tr2_5_1.o ccsdt_y_tr2_5_2.o ccsdt_y_tr2_6.o ccsdt_y_tr2_6_1.o OFFSET_ccsdt_y_tr2_6_1.o ccsdt_y_tr2_6_1_1.o OFFSET_ccsdt_y_tr2_6_1_1.o ccsdt_y_tr2_6_1_2.o ccsdt_y_tr2_6_2.o ccsdt_y_tr2_6_3.o ccsdt_y_tr2_6_3_1.o OFFSET_ccsdt_y_tr2_6_3_1.o ccsdt_y_tr2_7.o ccsdt_y_tr2_7_1.o OFFSET_ccsdt_y_tr2_7_1.o ccsdt_y_tr2_7_2.o ccsdt_y_tr2_8.o ccsdt_y_tr2_8_1.o OFFSET_ccsdt_y_tr2_8_1.o ccsdt_y_tr2_8_2.o ccsdt_y_tr2_9.o ccsdt_y_tr2_9_1.o OFFSET_ccsdt_y_tr2_9_1.o ccsdt_y_tr2_9_2.o ccsdt_y_tr2_10.o ccsdt_y_tr2_10_1.o OFFSET_ccsdt_y_tr2_10_1.o ccsdt_y_tr2_10_2.o ccsdt_y_tr2_10_3.o ccsdt_y_tr2_10_3_1.o OFFSET_ccsdt_y_tr2_10_3_1.o ccsdt_y_tr2_10_4.o ccsdt_y_tr2_10_4_1.o OFFSET_ccsdt_y_tr2_10_4_1.o ccsdt_y_tr2_11.o ccsdt_y_tr2_11_1.o OFFSET_ccsdt_y_tr2_11_1.o ccsdt_y_tr2_11_1_1.o OFFSET_ccsdt_y_tr2_11_1_1.o ccsdt_y_tr2_11_1_2.o ccsdt_y_tr2_11_1_2_1.o OFFSET_ccsdt_y_tr2_11_1_2_1.o ccsdt_y_tr2_11_1_2_2.o ccsdt_y_tr2_11_1_3.o ccsdt_y_tr2_11_2.o ccsdt_y_tr2_11_2_1.o OFFSET_ccsdt_y_tr2_11_2_1.o ccsdt_y_tr2_11_2_2.o ccsdt_y_tr2_11_3.o ccsdt_y_tr2_11_3_1.o OFFSET_ccsdt_y_tr2_11_3_1.o ccsdt_y_tr2_11_3_2.o ccsdt_y_tr2_11_4.o ccsdt_y_tr2_11_4_1.o OFFSET_ccsdt_y_tr2_11_4_1.o ccsdt_y_tr2_11_4_2.o ccsdt_y_tr2_11_5.o ccsdt_y_tr2_11_6.o ccsdt_y_tr2_11_7.o ccsdt_y_tr2_11_7_1.o OFFSET_ccsdt_y_tr2_11_7_1.o ccsdt_y_tr2_11_7_1_1.o OFFSET_ccsdt_y_tr2_11_7_1_1.o ccsdt_y_tr2_11_7_1_2.o ccsdt_y_tr2_11_7_2.o ccsdt_y_tr2_11_7_3.o ccsdt_y_tr2_11_7_3_1.o OFFSET_ccsdt_y_tr2_11_7_3_1.o ccsdt_y_tr2_11_8.o ccsdt_y_tr2_11_8_1.o OFFSET_ccsdt_y_tr2_11_8_1.o ccsdt_y_tr2_11_9.o ccsdt_y_tr2_11_9_1.o OFFSET_ccsdt_y_tr2_11_9_1.o ccsdt_y_tr2_11_10.o ccsdt_y_tr2_11_10_1.o OFFSET_ccsdt_y_tr2_11_10_1.o ccsdt_y_tr2_12.o ccsdt_y_tr2_12_1.o OFFSET_ccsdt_y_tr2_12_1.o ccsdt_y_tr2_13.o ccsdt_y_tr2_13_1.o OFFSET_ccsdt_y_tr2_13_1.o ccsdt_y_tr2_14.o ccsdt_y_tr2_14_1.o OFFSET_ccsdt_y_tr2_14_1.o ccsdt_y_tr2_14_2.o ccsdt_y_tr2_14_2_1.o OFFSET_ccsdt_y_tr2_14_2_1.o ccsdt_y_tr2_14_2_2.o ccsdt_y_tr2_14_3.o ccsdt_y_tr2_14_4.o ccsdt_y_tr2_14_5.o ccsdt_y_tr2_14_5_1.o OFFSET_ccsdt_y_tr2_14_5_1.o ccsdt_y_tr2_14_6.o ccsdt_y_tr2_14_6_1.o OFFSET_ccsdt_y_tr2_14_6_1.o ccsdt_y_tr2_14_7.o ccsdt_y_tr2_14_7_1.o OFFSET_ccsdt_y_tr2_14_7_1.o ccsdt_y_tr2_14_8.o ccsdt_y_tr2_14_8_1.o OFFSET_ccsdt_y_tr2_14_8_1.o ccsdt_y_tr2_14_9.o ccsdt_y_tr2_14_9_1.o OFFSET_ccsdt_y_tr2_14_9_1.o ccsdt_y_tr2_15.o ccsdt_y_tr2_15_1.o OFFSET_ccsdt_y_tr2_15_1.o ccsdt_y_tr2_15_2.o ccsdt_y_tr2_16.o ccsdt_y_tr2_16_1.o OFFSET_ccsdt_y_tr2_16_1.o ccsdt_y_tr2_16_2.o ccsdt_y_tr2_16_3.o ccsdt_y_tr2_16_3_1.o OFFSET_ccsdt_y_tr2_16_3_1.o ccsdt_y_tr2_16_4.o ccsdt_y_tr2_16_4_1.o OFFSET_ccsdt_y_tr2_16_4_1.o ccsdt_y_tr2_16_5.o ccsdt_y_tr2_16_5_1.o OFFSET_ccsdt_y_tr2_16_5_1.o ccsdt_y_tr2_16_6.o ccsdt_y_tr2_16_6_1.o OFFSET_ccsdt_y_tr2_16_6_1.o ccsdt_y_tr2_17.o ccsdt_y_tr2_17_1.o OFFSET_ccsdt_y_tr2_17_1.o ccsdt_y_tr2_18.o ccsdt_y_tr2_18_1.o OFFSET_ccsdt_y_tr2_18_1.o ccsdt_y_tr2_19.o ccsdt_y_tr2_19_1.o OFFSET_ccsdt_y_tr2_19_1.o ccsdt_y_tr2_20.o ccsdt_y_tr2_20_1.o OFFSET_ccsdt_y_tr2_20_1.o ccsdt_y_tr2_20_2.o ccsdt_y_tr2_20_2_1.o OFFSET_ccsdt_y_tr2_20_2_1.o ccsdt_y_tr2_20_2_2.o ccsdt_y_tr2_20_3.o ccsdt_y_tr2_20_3_1.o OFFSET_ccsdt_y_tr2_20_3_1.o ccsdt_y_tr2_20_3_2.o ccsdt_y_tr2_20_4.o ccsdt_y_tr2_20_4_1.o OFFSET_ccsdt_y_tr2_20_4_1.o ccsdt_y_tr2_20_5.o ccsdt_y_tr2_20_5_1.o OFFSET_ccsdt_y_tr2_20_5_1.o ccsdt_y_tr2_21.o ccsdt_y_tr2_21_1.o OFFSET_ccsdt_y_tr2_21_1.o ccsdt_y_tr2_21_1_1.o OFFSET_ccsdt_y_tr2_21_1_1.o ccsdt_y_tr2_21_2.o ccsdt_y_tr2_21_2_1.o OFFSET_ccsdt_y_tr2_21_2_1.o ccsdt_y_tr2_22.o ccsdt_y_tr2_22_1.o OFFSET_ccsdt_y_tr2_22_1.o ccsdt_y_tr2_22_1_1.o OFFSET_ccsdt_y_tr2_22_1_1.o ccsdt_y_tr2_22_2.o ccsdt_y_tr2_22_2_1.o OFFSET_ccsdt_y_tr2_22_2_1.o ccsdt_y_tr2_23.o ccsdt_y_tr2_23_1.o OFFSET_ccsdt_y_tr2_23_1.o ccsdt_y_tr2_23_1_1.o OFFSET_ccsdt_y_tr2_23_1_1.o ccsdt_y_tr2_23_2.o ccsdt_y_tr2_23_2_1.o OFFSET_ccsdt_y_tr2_23_2_1.o ccsdt_y_tr2_23_3.o ccsdt_y_tr2_23_3_1.o OFFSET_ccsdt_y_tr2_23_3_1.o ccsdt_y_tr2_23_3_1_1.o OFFSET_ccsdt_y_tr2_23_3_1_1.o ccsdt_y_tr2_23_4.o ccsdt_y_tr2_23_4_1.o OFFSET_ccsdt_y_tr2_23_4_1.o ccsdt_y_tr2_23_4_1_1.o OFFSET_ccsdt_y_tr2_23_4_1_1.o ccsdt_y_tr2_23_4_2.o ccsdt_y_tr2_23_4_2_1.o OFFSET_ccsdt_y_tr2_23_4_2_1.o ccsdt_y_tr3.o ccsdt_y_tr3_1.o ccsdt_y_tr3_1_1.o OFFSET_ccsdt_y_tr3_1_1.o ccsdt_y_tr3_2.o ccsdt_y_tr3_2_1.o OFFSET_ccsdt_y_tr3_2_1.o ccsdt_y_tr3_2_2.o ccsdt_y_tr3_3.o ccsdt_y_tr3_3_1.o OFFSET_ccsdt_y_tr3_3_1.o ccsdt_y_tr3_4.o ccsdt_y_tr3_4_1.o OFFSET_ccsdt_y_tr3_4_1.o ccsdt_y_tr3_4_1_1.o OFFSET_ccsdt_y_tr3_4_1_1.o ccsdt_y_tr3_4_1_2.o ccsdt_y_tr3_4_2.o ccsdt_y_tr3_4_3.o ccsdt_y_tr3_4_4.o ccsdt_y_tr3_4_4_1.o OFFSET_ccsdt_y_tr3_4_4_1.o ccsdt_y_tr3_5.o ccsdt_y_tr3_5_1.o OFFSET_ccsdt_y_tr3_5_1.o ccsdt_y_tr3_6.o ccsdt_y_tr3_6_1.o OFFSET_ccsdt_y_tr3_6_1.o ccsdt_y_tr3_6_1_1.o OFFSET_ccsdt_y_tr3_6_1_1.o ccsdt_y_tr3_6_1_2.o ccsdt_y_tr3_6_2.o ccsdt_y_tr3_6_3.o ccsdt_y_tr3_6_3_1.o OFFSET_ccsdt_y_tr3_6_3_1.o ccsdt_y_tr3_7.o ccsdt_y_tr3_7_1.o OFFSET_ccsdt_y_tr3_7_1.o ccsdt_y_tr3_8.o ccsdt_y_tr3_8_1.o OFFSET_ccsdt_y_tr3_8_1.o ccsdt_y_tr3_8_2.o ccsdt_y_tr3_8_3.o ccsdt_y_tr3_8_3_1.o OFFSET_ccsdt_y_tr3_8_3_1.o ccsdt_y_tr3_8_4.o ccsdt_y_tr3_8_4_1.o OFFSET_ccsdt_y_tr3_8_4_1.o ccsdt_y_tr3_9.o ccsdt_y_tr3_9_1.o OFFSET_ccsdt_y_tr3_9_1.o ccsdt_y_tr3_10.o ccsdt_y_tr3_10_1.o OFFSET_ccsdt_y_tr3_10_1.o ccsdt_y_tr3_10_2.o ccsdt_y_tr3_10_3.o ccsdt_y_tr3_10_3_1.o OFFSET_ccsdt_y_tr3_10_3_1.o ccsdt_y_tr3_10_4.o ccsdt_y_tr3_10_4_1.o OFFSET_ccsdt_y_tr3_10_4_1.o ccsdt_y_tr3_11.o ccsdt_y_tr3_11_1.o OFFSET_ccsdt_y_tr3_11_1.o ccsdt_y_tr3_12.o ccsdt_y_tr3_12_1.o OFFSET_ccsdt_y_tr3_12_1.o ccsdt_y_tr3_12_2.o ccsdt_y_tr3_12_2_1.o OFFSET_ccsdt_y_tr3_12_2_1.o ccsdt_y_tr3_12_3.o ccsdt_y_tr3_12_3_1.o OFFSET_ccsdt_y_tr3_12_3_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdt_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_lr_beta_1.F... Compiling ccsdt_lr_beta_1_1.F... Compiling ccsdt_lr_beta_1_1_1.F... Compiling OFFSET_ccsdt_lr_beta_1_1_1.F... Compiling ccsdt_lr_beta_1_1_2.F... Compiling ccsdt_lr_beta_1_1_3.F... Compiling ccsdt_lr_beta_1_2.F... Compiling ccsdt_lr_beta_1_2_1.F... Compiling OFFSET_ccsdt_lr_beta_1_2_1.F... Compiling ccsdt_lr_beta_1_3.F... Compiling ccsdt_lr_beta_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_1.F... Compiling ccsdt_lr_beta_1_3_2.F... Compiling ccsdt_lr_beta_1_3_3.F... Compiling ccsdt_lr_beta_1_3_3_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_3_1.F... Compiling ccsdt_lr_beta_1_3_3_2.F... Compiling ccsdt_lr_beta_1_3_3_3.F... Compiling ccsdt_lr_beta_1_3_4.F... Compiling ccsdt_lr_beta_1_3_4_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_4_1.F... Compiling ccsdt_lr_beta_1_3_4_2.F... Compiling ccsdt_lr_beta_1_3_4_3.F... Compiling ccsdt_lr_beta_1_3_5.F... Compiling ccsdt_lr_beta_1_3_5_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_5_1.F... Compiling ccsdt_lr_beta_1_3_5_2.F... 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Compiling OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.F... Compiling ccsdt_lr_beta_4_4_25_3.F... Compiling ccsdt_lr_beta_4_4_25_3_1.F... Compiling OFFSET_ccsdt_lr_beta_4_4_25_3_1.F... Compiling ccsdt_lr_beta_4_4_25_3_1_1.F... Compiling OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.F... Compiling ccsdt_lr_beta_4_4_25_3_1_2.F... Compiling ccsdt_lr_beta_4_4_25_3_2.F... Compiling ccsdt_lr_beta_4_4_25_3_2_1.F... Compiling OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.F... Compiling ccsdt_lr_beta_4_4_25_3_2_2.F... Compiling ccsdt_lr_beta_4_4_25_4.F... Compiling ccsdt_lr_beta_4_4_25_4_1.F... Compiling OFFSET_ccsdt_lr_beta_4_4_25_4_1.F... Compiling ccsdt_lr_beta_4_4_25_4_1_1.F... Compiling OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.F... Compiling ccsdt_lr_beta_4_4_25_4_2.F... Compiling ccsdt_lr_beta_4_4_25_4_2_1.F... Compiling OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.F... Compiling ccsdt_lr_beta_4_4_25_5.F... Compiling ccsdt_lr_beta_4_4_25_5_1.F... Compiling OFFSET_ccsdt_lr_beta_4_4_25_5_1.F... Compiling ccsdt_lr_beta_4_4_25_5_1_1.F... 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Compiling OFFSET_ccsdt_lr_beta_4_5_1_2_1.F... Compiling ccsdt_lr_beta_4_5_1_3.F... Compiling ccsdt_lr_beta_4_5_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_1_3_1.F... Compiling ccsdt_lr_beta_4_5_1_4.F... Compiling ccsdt_lr_beta_4_5_1_4_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_1_4_1.F... Compiling ccsdt_lr_beta_4_5_2.F... Compiling ccsdt_lr_beta_4_5_2_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_2_1.F... Compiling ccsdt_lr_beta_4_5_2_1_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_2_1_1.F... Compiling ccsdt_lr_beta_4_5_2_2.F... Compiling ccsdt_lr_beta_4_5_2_2_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_2_2_1.F... Compiling ccsdt_lr_beta_4_5_2_3.F... Compiling ccsdt_lr_beta_4_5_2_3_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_2_3_1.F... Compiling ccsdt_lr_beta_4_5_2_4.F... Compiling ccsdt_lr_beta_4_5_2_4_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_2_4_1.F... Compiling ccsdt_lr_beta_4_5_3.F... Compiling ccsdt_lr_beta_4_5_3_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_3_1.F... Compiling ccsdt_lr_beta_4_5_3_1_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_3_1_1.F... Compiling ccsdt_lr_beta_4_5_3_2.F... Compiling ccsdt_lr_beta_4_5_3_2_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_3_2_1.F... Compiling ccsdt_lr_beta_4_5_3_3.F... Compiling ccsdt_lr_beta_4_5_3_3_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_3_3_1.F... Compiling ccsdt_lr_beta_4_5_3_4.F... Compiling ccsdt_lr_beta_4_5_3_4_1.F... Compiling OFFSET_ccsdt_lr_beta_4_5_3_4_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_lr_beta_1.o ccsdt_lr_beta_1_1.o ccsdt_lr_beta_1_1_1.o OFFSET_ccsdt_lr_beta_1_1_1.o ccsdt_lr_beta_1_1_2.o ccsdt_lr_beta_1_1_3.o ccsdt_lr_beta_1_2.o ccsdt_lr_beta_1_2_1.o OFFSET_ccsdt_lr_beta_1_2_1.o ccsdt_lr_beta_1_3.o ccsdt_lr_beta_1_3_1.o OFFSET_ccsdt_lr_beta_1_3_1.o ccsdt_lr_beta_1_3_2.o ccsdt_lr_beta_1_3_3.o ccsdt_lr_beta_1_3_3_1.o OFFSET_ccsdt_lr_beta_1_3_3_1.o ccsdt_lr_beta_1_3_3_2.o ccsdt_lr_beta_1_3_3_3.o ccsdt_lr_beta_1_3_4.o ccsdt_lr_beta_1_3_4_1.o OFFSET_ccsdt_lr_beta_1_3_4_1.o ccsdt_lr_beta_1_3_4_2.o ccsdt_lr_beta_1_3_4_3.o ccsdt_lr_beta_1_3_5.o ccsdt_lr_beta_1_3_5_1.o OFFSET_ccsdt_lr_beta_1_3_5_1.o ccsdt_lr_beta_1_3_5_2.o ccsdt_lr_beta_1_3_6.o ccsdt_lr_beta_1_3_6_1.o OFFSET_ccsdt_lr_beta_1_3_6_1.o ccsdt_lr_beta_1_3_7.o ccsdt_lr_beta_1_3_7_1.o OFFSET_ccsdt_lr_beta_1_3_7_1.o ccsdt_lr_beta_1_3_7_2.o ccsdt_lr_beta_1_3_8.o ccsdt_lr_beta_1_3_8_1.o OFFSET_ccsdt_lr_beta_1_3_8_1.o ccsdt_lr_beta_1_4.o ccsdt_lr_beta_1_4_1.o OFFSET_ccsdt_lr_beta_1_4_1.o ccsdt_lr_beta_1_4_2.o ccsdt_lr_beta_2.o ccsdt_lr_beta_2_1.o ccsdt_lr_beta_2_1_1.o OFFSET_ccsdt_lr_beta_2_1_1.o ccsdt_lr_beta_2_1_1_1.o OFFSET_ccsdt_lr_beta_2_1_1_1.o ccsdt_lr_beta_2_1_1_2.o ccsdt_lr_beta_2_1_1_3.o ccsdt_lr_beta_2_1_2.o ccsdt_lr_beta_2_1_2_1.o OFFSET_ccsdt_lr_beta_2_1_2_1.o ccsdt_lr_beta_2_1_2_2.o ccsdt_lr_beta_2_1_2_3.o ccsdt_lr_beta_2_1_3.o ccsdt_lr_beta_2_1_3_1.o OFFSET_ccsdt_lr_beta_2_1_3_1.o ccsdt_lr_beta_2_1_3_2.o ccsdt_lr_beta_2_1_4.o ccsdt_lr_beta_2_1_4_1.o OFFSET_ccsdt_lr_beta_2_1_4_1.o ccsdt_lr_beta_2_1_5.o ccsdt_lr_beta_2_1_5_1.o OFFSET_ccsdt_lr_beta_2_1_5_1.o ccsdt_lr_beta_2_1_5_2.o ccsdt_lr_beta_2_1_6.o ccsdt_lr_beta_2_1_6_1.o OFFSET_ccsdt_lr_beta_2_1_6_1.o ccsdt_lr_beta_2_2.o ccsdt_lr_beta_2_2_1.o OFFSET_ccsdt_lr_beta_2_2_1.o ccsdt_lr_beta_2_2_1_1.o OFFSET_ccsdt_lr_beta_2_2_1_1.o ccsdt_lr_beta_2_2_1_2.o ccsdt_lr_beta_2_2_1_3.o ccsdt_lr_beta_2_2_1_3_1.o OFFSET_ccsdt_lr_beta_2_2_1_3_1.o ccsdt_lr_beta_2_2_1_4.o ccsdt_lr_beta_2_2_1_4_1.o OFFSET_ccsdt_lr_beta_2_2_1_4_1.o ccsdt_lr_beta_2_2_2.o ccsdt_lr_beta_2_2_2_1.o OFFSET_ccsdt_lr_beta_2_2_2_1.o ccsdt_lr_beta_2_2_3.o ccsdt_lr_beta_2_2_3_1.o OFFSET_ccsdt_lr_beta_2_2_3_1.o ccsdt_lr_beta_2_2_4.o ccsdt_lr_beta_2_2_4_1.o OFFSET_ccsdt_lr_beta_2_2_4_1.o ccsdt_lr_beta_2_2_4_2.o ccsdt_lr_beta_2_2_4_3.o ccsdt_lr_beta_2_2_4_3_1.o OFFSET_ccsdt_lr_beta_2_2_4_3_1.o ccsdt_lr_beta_2_2_4_4.o ccsdt_lr_beta_2_2_4_4_1.o OFFSET_ccsdt_lr_beta_2_2_4_4_1.o ccsdt_lr_beta_2_2_5.o ccsdt_lr_beta_2_2_5_1.o OFFSET_ccsdt_lr_beta_2_2_5_1.o ccsdt_lr_beta_2_2_6.o ccsdt_lr_beta_2_2_6_1.o OFFSET_ccsdt_lr_beta_2_2_6_1.o ccsdt_lr_beta_2_2_7.o ccsdt_lr_beta_2_2_7_1.o OFFSET_ccsdt_lr_beta_2_2_7_1.o ccsdt_lr_beta_2_2_8.o ccsdt_lr_beta_2_2_8_1.o OFFSET_ccsdt_lr_beta_2_2_8_1.o ccsdt_lr_beta_2_2_9.o ccsdt_lr_beta_2_2_9_1.o OFFSET_ccsdt_lr_beta_2_2_9_1.o ccsdt_lr_beta_2_2_9_1_1.o OFFSET_ccsdt_lr_beta_2_2_9_1_1.o ccsdt_lr_beta_2_2_9_2.o ccsdt_lr_beta_2_2_9_2_1.o OFFSET_ccsdt_lr_beta_2_2_9_2_1.o ccsdt_lr_beta_2_3.o ccsdt_lr_beta_2_3_1.o OFFSET_ccsdt_lr_beta_2_3_1.o ccsdt_lr_beta_2_3_1_1.o OFFSET_ccsdt_lr_beta_2_3_1_1.o ccsdt_lr_beta_2_3_2.o ccsdt_lr_beta_2_3_2_1.o OFFSET_ccsdt_lr_beta_2_3_2_1.o ccsdt_lr_beta_2_3_3.o ccsdt_lr_beta_2_3_3_1.o OFFSET_ccsdt_lr_beta_2_3_3_1.o ccsdt_lr_beta_2_3_4.o ccsdt_lr_beta_2_3_4_1.o OFFSET_ccsdt_lr_beta_2_3_4_1.o ccsdt_lr_beta_2_4.o ccsdt_lr_beta_2_4_1.o OFFSET_ccsdt_lr_beta_2_4_1.o ccsdt_lr_beta_2_4_1_1.o OFFSET_ccsdt_lr_beta_2_4_1_1.o ccsdt_lr_beta_2_4_1_2.o ccsdt_lr_beta_2_4_2.o ccsdt_lr_beta_2_4_2_1.o OFFSET_ccsdt_lr_beta_2_4_2_1.o ccsdt_lr_beta_2_4_2_2.o ccsdt_lr_beta_2_4_3.o ccsdt_lr_beta_2_4_3_1.o OFFSET_ccsdt_lr_beta_2_4_3_1.o ccsdt_lr_beta_2_4_4.o ccsdt_lr_beta_2_4_4_1.o OFFSET_ccsdt_lr_beta_2_4_4_1.o ccsdt_lr_beta_2_5.o ccsdt_lr_beta_2_5_1.o OFFSET_ccsdt_lr_beta_2_5_1.o ccsdt_lr_beta_2_5_1_1.o OFFSET_ccsdt_lr_beta_2_5_1_1.o ccsdt_lr_beta_2_5_2.o ccsdt_lr_beta_2_5_2_1.o OFFSET_ccsdt_lr_beta_2_5_2_1.o ccsdt_lr_beta_2_5_2_2.o ccsdt_lr_beta_2_5_3.o ccsdt_lr_beta_2_5_3_1.o OFFSET_ccsdt_lr_beta_2_5_3_1.o ccsdt_lr_beta_2_5_3_2.o ccsdt_lr_beta_2_5_3_2_1.o OFFSET_ccsdt_lr_beta_2_5_3_2_1.o ccsdt_lr_beta_2_5_3_3.o ccsdt_lr_beta_2_5_3_3_1.o OFFSET_ccsdt_lr_beta_2_5_3_3_1.o ccsdt_lr_beta_2_5_3_4.o ccsdt_lr_beta_2_5_3_4_1.o OFFSET_ccsdt_lr_beta_2_5_3_4_1.o ccsdt_lr_beta_2_5_3_5.o ccsdt_lr_beta_2_5_3_5_1.o OFFSET_ccsdt_lr_beta_2_5_3_5_1.o ccsdt_lr_beta_2_5_3_6.o ccsdt_lr_beta_2_5_3_6_1.o OFFSET_ccsdt_lr_beta_2_5_3_6_1.o ccsdt_lr_beta_2_5_3_7.o ccsdt_lr_beta_2_5_3_7_1.o OFFSET_ccsdt_lr_beta_2_5_3_7_1.o ccsdt_lr_beta_2_5_4.o ccsdt_lr_beta_2_5_4_1.o OFFSET_ccsdt_lr_beta_2_5_4_1.o ccsdt_lr_beta_2_5_4_2.o ccsdt_lr_beta_2_5_5.o ccsdt_lr_beta_2_5_5_1.o OFFSET_ccsdt_lr_beta_2_5_5_1.o ccsdt_lr_beta_2_5_6.o ccsdt_lr_beta_2_5_6_1.o OFFSET_ccsdt_lr_beta_2_5_6_1.o ccsdt_lr_beta_2_5_7.o ccsdt_lr_beta_2_5_7_1.o OFFSET_ccsdt_lr_beta_2_5_7_1.o ccsdt_lr_beta_2_5_8.o ccsdt_lr_beta_2_5_8_1.o OFFSET_ccsdt_lr_beta_2_5_8_1.o ccsdt_lr_beta_2_5_9.o ccsdt_lr_beta_2_5_9_1.o OFFSET_ccsdt_lr_beta_2_5_9_1.o ccsdt_lr_beta_2_5_9_2.o ccsdt_lr_beta_2_5_10.o ccsdt_lr_beta_2_5_10_1.o OFFSET_ccsdt_lr_beta_2_5_10_1.o ccsdt_lr_beta_2_5_10_2.o ccsdt_lr_beta_2_5_10_2_1.o OFFSET_ccsdt_lr_beta_2_5_10_2_1.o ccsdt_lr_beta_2_5_10_3.o ccsdt_lr_beta_2_5_10_3_1.o OFFSET_ccsdt_lr_beta_2_5_10_3_1.o ccsdt_lr_beta_2_5_10_4.o ccsdt_lr_beta_2_5_10_4_1.o OFFSET_ccsdt_lr_beta_2_5_10_4_1.o ccsdt_lr_beta_2_5_10_5.o ccsdt_lr_beta_2_5_10_5_1.o OFFSET_ccsdt_lr_beta_2_5_10_5_1.o ccsdt_lr_beta_2_5_10_6.o ccsdt_lr_beta_2_5_10_6_1.o OFFSET_ccsdt_lr_beta_2_5_10_6_1.o ccsdt_lr_beta_2_5_10_7.o ccsdt_lr_beta_2_5_10_7_1.o OFFSET_ccsdt_lr_beta_2_5_10_7_1.o ccsdt_lr_beta_2_5_11.o ccsdt_lr_beta_2_5_11_1.o OFFSET_ccsdt_lr_beta_2_5_11_1.o ccsdt_lr_beta_2_5_11_2.o ccsdt_lr_beta_2_5_12.o ccsdt_lr_beta_2_5_12_1.o OFFSET_ccsdt_lr_beta_2_5_12_1.o ccsdt_lr_beta_2_5_13.o ccsdt_lr_beta_2_5_13_1.o OFFSET_ccsdt_lr_beta_2_5_13_1.o ccsdt_lr_beta_2_5_14.o ccsdt_lr_beta_2_5_14_1.o OFFSET_ccsdt_lr_beta_2_5_14_1.o ccsdt_lr_beta_2_5_15.o ccsdt_lr_beta_2_5_15_1.o OFFSET_ccsdt_lr_beta_2_5_15_1.o ccsdt_lr_beta_2_5_15_1_1.o OFFSET_ccsdt_lr_beta_2_5_15_1_1.o ccsdt_lr_beta_2_5_15_2.o ccsdt_lr_beta_2_5_15_2_1.o OFFSET_ccsdt_lr_beta_2_5_15_2_1.o ccsdt_lr_beta_2_5_15_3.o ccsdt_lr_beta_2_5_15_3_1.o OFFSET_ccsdt_lr_beta_2_5_15_3_1.o ccsdt_lr_beta_2_5_15_4.o ccsdt_lr_beta_2_5_15_4_1.o OFFSET_ccsdt_lr_beta_2_5_15_4_1.o ccsdt_lr_beta_2_5_15_5.o ccsdt_lr_beta_2_5_15_5_1.o OFFSET_ccsdt_lr_beta_2_5_15_5_1.o ccsdt_lr_beta_2_5_15_6.o ccsdt_lr_beta_2_5_15_6_1.o OFFSET_ccsdt_lr_beta_2_5_15_6_1.o ccsdt_lr_beta_2_5_16.o ccsdt_lr_beta_2_5_16_1.o OFFSET_ccsdt_lr_beta_2_5_16_1.o ccsdt_lr_beta_2_5_16_1_1.o OFFSET_ccsdt_lr_beta_2_5_16_1_1.o ccsdt_lr_beta_2_5_16_2.o ccsdt_lr_beta_2_5_16_2_1.o OFFSET_ccsdt_lr_beta_2_5_16_2_1.o ccsdt_lr_beta_2_5_17.o ccsdt_lr_beta_2_5_17_1.o OFFSET_ccsdt_lr_beta_2_5_17_1.o ccsdt_lr_beta_2_5_17_1_1.o OFFSET_ccsdt_lr_beta_2_5_17_1_1.o ccsdt_lr_beta_2_5_17_2.o ccsdt_lr_beta_2_5_17_2_1.o OFFSET_ccsdt_lr_beta_2_5_17_2_1.o ccsdt_lr_beta_2_5_18.o ccsdt_lr_beta_2_5_18_1.o OFFSET_ccsdt_lr_beta_2_5_18_1.o ccsdt_lr_beta_2_5_18_1_1.o OFFSET_ccsdt_lr_beta_2_5_18_1_1.o ccsdt_lr_beta_2_5_18_2.o ccsdt_lr_beta_2_5_18_2_1.o OFFSET_ccsdt_lr_beta_2_5_18_2_1.o ccsdt_lr_beta_2_6.o ccsdt_lr_beta_2_6_1.o OFFSET_ccsdt_lr_beta_2_6_1.o ccsdt_lr_beta_2_6_1_1.o OFFSET_ccsdt_lr_beta_2_6_1_1.o ccsdt_lr_beta_2_6_1_2.o ccsdt_lr_beta_2_6_1_3.o ccsdt_lr_beta_2_6_1_3_1.o OFFSET_ccsdt_lr_beta_2_6_1_3_1.o ccsdt_lr_beta_2_6_1_3_2.o ccsdt_lr_beta_2_6_1_4.o ccsdt_lr_beta_2_6_1_4_1.o OFFSET_ccsdt_lr_beta_2_6_1_4_1.o ccsdt_lr_beta_2_6_1_4_2.o ccsdt_lr_beta_2_6_2.o ccsdt_lr_beta_2_6_2_1.o OFFSET_ccsdt_lr_beta_2_6_2_1.o ccsdt_lr_beta_2_6_3.o ccsdt_lr_beta_2_6_3_1.o OFFSET_ccsdt_lr_beta_2_6_3_1.o ccsdt_lr_beta_2_6_3_2.o ccsdt_lr_beta_2_6_4.o ccsdt_lr_beta_2_6_4_1.o OFFSET_ccsdt_lr_beta_2_6_4_1.o ccsdt_lr_beta_2_6_4_1_1.o OFFSET_ccsdt_lr_beta_2_6_4_1_1.o ccsdt_lr_beta_2_6_4_1_2.o ccsdt_lr_beta_2_6_5.o ccsdt_lr_beta_2_6_5_1.o OFFSET_ccsdt_lr_beta_2_6_5_1.o ccsdt_lr_beta_2_6_6.o ccsdt_lr_beta_2_6_6_1.o OFFSET_ccsdt_lr_beta_2_6_6_1.o ccsdt_lr_beta_2_6_7.o ccsdt_lr_beta_2_6_7_1.o OFFSET_ccsdt_lr_beta_2_6_7_1.o ccsdt_lr_beta_2_6_7_2.o ccsdt_lr_beta_2_6_7_3.o ccsdt_lr_beta_2_6_7_3_1.o OFFSET_ccsdt_lr_beta_2_6_7_3_1.o ccsdt_lr_beta_2_6_7_3_2.o ccsdt_lr_beta_2_6_7_4.o ccsdt_lr_beta_2_6_7_4_1.o OFFSET_ccsdt_lr_beta_2_6_7_4_1.o ccsdt_lr_beta_2_6_7_4_2.o ccsdt_lr_beta_2_6_8.o ccsdt_lr_beta_2_6_8_1.o OFFSET_ccsdt_lr_beta_2_6_8_1.o ccsdt_lr_beta_2_6_9.o ccsdt_lr_beta_2_6_9_1.o OFFSET_ccsdt_lr_beta_2_6_9_1.o ccsdt_lr_beta_2_6_9_2.o ccsdt_lr_beta_2_6_10.o ccsdt_lr_beta_2_6_10_1.o OFFSET_ccsdt_lr_beta_2_6_10_1.o ccsdt_lr_beta_2_6_11.o ccsdt_lr_beta_2_6_11_1.o OFFSET_ccsdt_lr_beta_2_6_11_1.o ccsdt_lr_beta_2_6_12.o ccsdt_lr_beta_2_6_12_1.o OFFSET_ccsdt_lr_beta_2_6_12_1.o ccsdt_lr_beta_2_6_12_1_1.o OFFSET_ccsdt_lr_beta_2_6_12_1_1.o ccsdt_lr_beta_2_6_12_2.o ccsdt_lr_beta_2_6_12_2_1.o OFFSET_ccsdt_lr_beta_2_6_12_2_1.o ccsdt_lr_beta_2_6_13.o ccsdt_lr_beta_2_6_13_1.o OFFSET_ccsdt_lr_beta_2_6_13_1.o ccsdt_lr_beta_2_6_13_1_1.o OFFSET_ccsdt_lr_beta_2_6_13_1_1.o ccsdt_lr_beta_2_6_13_1_2.o ccsdt_lr_beta_2_6_13_2.o ccsdt_lr_beta_2_6_13_2_1.o OFFSET_ccsdt_lr_beta_2_6_13_2_1.o ccsdt_lr_beta_2_6_13_2_2.o ccsdt_lr_beta_2_6_14.o ccsdt_lr_beta_2_6_14_1.o OFFSET_ccsdt_lr_beta_2_6_14_1.o ccsdt_lr_beta_2_6_14_1_1.o OFFSET_ccsdt_lr_beta_2_6_14_1_1.o ccsdt_lr_beta_2_6_14_2.o ccsdt_lr_beta_2_6_14_2_1.o OFFSET_ccsdt_lr_beta_2_6_14_2_1.o ccsdt_lr_beta_2_6_15.o ccsdt_lr_beta_2_6_15_1.o OFFSET_ccsdt_lr_beta_2_6_15_1.o ccsdt_lr_beta_2_6_15_1_1.o OFFSET_ccsdt_lr_beta_2_6_15_1_1.o ccsdt_lr_beta_2_6_15_2.o ccsdt_lr_beta_2_6_15_2_1.o OFFSET_ccsdt_lr_beta_2_6_15_2_1.o ccsdt_lr_beta_2_7.o ccsdt_lr_beta_2_7_1.o OFFSET_ccsdt_lr_beta_2_7_1.o ccsdt_lr_beta_2_7_1_1.o OFFSET_ccsdt_lr_beta_2_7_1_1.o ccsdt_lr_beta_2_7_2.o ccsdt_lr_beta_2_7_2_1.o OFFSET_ccsdt_lr_beta_2_7_2_1.o ccsdt_lr_beta_2_8.o ccsdt_lr_beta_2_8_1.o OFFSET_ccsdt_lr_beta_2_8_1.o ccsdt_lr_beta_2_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_1_1.o ccsdt_lr_beta_2_8_1_2.o ccsdt_lr_beta_2_8_2.o ccsdt_lr_beta_2_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_2_1.o ccsdt_lr_beta_2_8_2_2.o ccsdt_lr_beta_2_8_2_3.o ccsdt_lr_beta_2_8_2_3_1.o OFFSET_ccsdt_lr_beta_2_8_2_3_1.o ccsdt_lr_beta_2_8_2_4.o ccsdt_lr_beta_2_8_2_4_1.o OFFSET_ccsdt_lr_beta_2_8_2_4_1.o ccsdt_lr_beta_2_8_3.o ccsdt_lr_beta_2_8_3_1.o OFFSET_ccsdt_lr_beta_2_8_3_1.o ccsdt_lr_beta_2_8_4.o ccsdt_lr_beta_2_8_4_1.o OFFSET_ccsdt_lr_beta_2_8_4_1.o ccsdt_lr_beta_2_8_4_2.o ccsdt_lr_beta_2_8_4_3.o ccsdt_lr_beta_2_8_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_4_3_1.o ccsdt_lr_beta_2_8_4_4.o ccsdt_lr_beta_2_8_4_4_1.o OFFSET_ccsdt_lr_beta_2_8_4_4_1.o ccsdt_lr_beta_2_8_5.o ccsdt_lr_beta_2_8_5_1.o OFFSET_ccsdt_lr_beta_2_8_5_1.o ccsdt_lr_beta_2_8_6.o ccsdt_lr_beta_2_8_6_1.o OFFSET_ccsdt_lr_beta_2_8_6_1.o ccsdt_lr_beta_2_8_7.o ccsdt_lr_beta_2_8_7_1.o OFFSET_ccsdt_lr_beta_2_8_7_1.o ccsdt_lr_beta_2_8_7_2.o ccsdt_lr_beta_2_8_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_7_2_1.o ccsdt_lr_beta_2_8_7_3.o ccsdt_lr_beta_2_8_7_3_1.o OFFSET_ccsdt_lr_beta_2_8_7_3_1.o ccsdt_lr_beta_2_8_8.o ccsdt_lr_beta_2_8_8_1.o OFFSET_ccsdt_lr_beta_2_8_8_1.o ccsdt_lr_beta_2_8_9.o ccsdt_lr_beta_2_8_9_1.o OFFSET_ccsdt_lr_beta_2_8_9_1.o ccsdt_lr_beta_2_8_9_2.o ccsdt_lr_beta_2_8_10.o ccsdt_lr_beta_2_8_10_1.o OFFSET_ccsdt_lr_beta_2_8_10_1.o ccsdt_lr_beta_2_8_11.o ccsdt_lr_beta_2_8_11_1.o OFFSET_ccsdt_lr_beta_2_8_11_1.o ccsdt_lr_beta_2_8_12.o ccsdt_lr_beta_2_8_12_1.o OFFSET_ccsdt_lr_beta_2_8_12_1.o ccsdt_lr_beta_2_8_13.o ccsdt_lr_beta_2_8_13_1.o OFFSET_ccsdt_lr_beta_2_8_13_1.o ccsdt_lr_beta_2_8_13_2.o ccsdt_lr_beta_2_8_13_2_1.o OFFSET_ccsdt_lr_beta_2_8_13_2_1.o ccsdt_lr_beta_2_8_13_3.o ccsdt_lr_beta_2_8_13_3_1.o OFFSET_ccsdt_lr_beta_2_8_13_3_1.o ccsdt_lr_beta_2_8_14.o ccsdt_lr_beta_2_8_14_1.o OFFSET_ccsdt_lr_beta_2_8_14_1.o ccsdt_lr_beta_2_8_15.o ccsdt_lr_beta_2_8_15_1.o OFFSET_ccsdt_lr_beta_2_8_15_1.o ccsdt_lr_beta_2_8_15_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_1.o ccsdt_lr_beta_2_8_15_1_2.o ccsdt_lr_beta_2_8_15_1_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_2_1.o ccsdt_lr_beta_2_8_15_1_2_2.o ccsdt_lr_beta_2_8_15_1_3.o ccsdt_lr_beta_2_8_15_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_3_1.o ccsdt_lr_beta_2_8_15_1_3_2.o ccsdt_lr_beta_2_8_15_2.o ccsdt_lr_beta_2_8_15_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_2_1.o ccsdt_lr_beta_2_8_15_3.o ccsdt_lr_beta_2_8_15_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_3_1.o ccsdt_lr_beta_2_8_15_4.o ccsdt_lr_beta_2_8_15_4_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_1.o ccsdt_lr_beta_2_8_15_4_2.o ccsdt_lr_beta_2_8_15_4_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_2_1.o ccsdt_lr_beta_2_8_15_4_2_2.o ccsdt_lr_beta_2_8_15_4_3.o ccsdt_lr_beta_2_8_15_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_3_1.o ccsdt_lr_beta_2_8_15_4_3_2.o ccsdt_lr_beta_2_8_15_5.o ccsdt_lr_beta_2_8_15_5_1.o OFFSET_ccsdt_lr_beta_2_8_15_5_1.o ccsdt_lr_beta_2_8_15_6.o ccsdt_lr_beta_2_8_15_6_1.o OFFSET_ccsdt_lr_beta_2_8_15_6_1.o ccsdt_lr_beta_2_8_15_7.o ccsdt_lr_beta_2_8_15_7_1.o OFFSET_ccsdt_lr_beta_2_8_15_7_1.o ccsdt_lr_beta_2_8_15_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_7_1_1.o ccsdt_lr_beta_2_8_15_8.o ccsdt_lr_beta_2_8_15_8_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_1.o ccsdt_lr_beta_2_8_15_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_1_1.o ccsdt_lr_beta_2_8_15_8_2.o ccsdt_lr_beta_2_8_15_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_2_1.o ccsdt_lr_beta_2_8_16.o ccsdt_lr_beta_2_8_16_1.o OFFSET_ccsdt_lr_beta_2_8_16_1.o ccsdt_lr_beta_2_8_16_1_1.o OFFSET_ccsdt_lr_beta_2_8_16_1_1.o ccsdt_lr_beta_2_8_16_2.o ccsdt_lr_beta_2_8_16_2_1.o OFFSET_ccsdt_lr_beta_2_8_16_2_1.o ccsdt_lr_beta_2_8_17.o ccsdt_lr_beta_2_8_17_1.o OFFSET_ccsdt_lr_beta_2_8_17_1.o ccsdt_lr_beta_2_8_17_1_1.o OFFSET_ccsdt_lr_beta_2_8_17_1_1.o ccsdt_lr_beta_2_8_17_2.o ccsdt_lr_beta_2_8_17_2_1.o OFFSET_ccsdt_lr_beta_2_8_17_2_1.o ccsdt_lr_beta_2_8_18.o ccsdt_lr_beta_2_8_18_1.o OFFSET_ccsdt_lr_beta_2_8_18_1.o ccsdt_lr_beta_2_8_18_1_1.o OFFSET_ccsdt_lr_beta_2_8_18_1_1.o ccsdt_lr_beta_2_8_18_2.o ccsdt_lr_beta_2_8_18_2_1.o OFFSET_ccsdt_lr_beta_2_8_18_2_1.o ccsdt_lr_beta_2_8_19.o ccsdt_lr_beta_2_8_19_1.o OFFSET_ccsdt_lr_beta_2_8_19_1.o ccsdt_lr_beta_2_8_19_1_1.o OFFSET_ccsdt_lr_beta_2_8_19_1_1.o ccsdt_lr_beta_2_8_19_2.o ccsdt_lr_beta_2_8_19_2_1.o OFFSET_ccsdt_lr_beta_2_8_19_2_1.o ccsdt_lr_beta_2_8_19_3.o ccsdt_lr_beta_2_8_19_3_1.o OFFSET_ccsdt_lr_beta_2_8_19_3_1.o ccsdt_lr_beta_2_8_19_4.o ccsdt_lr_beta_2_8_19_4_1.o OFFSET_ccsdt_lr_beta_2_8_19_4_1.o ccsdt_lr_beta_2_8_20.o ccsdt_lr_beta_2_8_20_1.o OFFSET_ccsdt_lr_beta_2_8_20_1.o ccsdt_lr_beta_2_8_20_1_1.o OFFSET_ccsdt_lr_beta_2_8_20_1_1.o ccsdt_lr_beta_2_8_20_2.o ccsdt_lr_beta_2_8_20_2_1.o OFFSET_ccsdt_lr_beta_2_8_20_2_1.o ccsdt_lr_beta_2_8_21.o ccsdt_lr_beta_2_8_21_1.o OFFSET_ccsdt_lr_beta_2_8_21_1.o ccsdt_lr_beta_2_8_21_1_1.o OFFSET_ccsdt_lr_beta_2_8_21_1_1.o ccsdt_lr_beta_2_8_21_2.o ccsdt_lr_beta_2_8_21_2_1.o OFFSET_ccsdt_lr_beta_2_8_21_2_1.o ccsdt_lr_beta_2_8_22.o ccsdt_lr_beta_2_8_22_1.o OFFSET_ccsdt_lr_beta_2_8_22_1.o ccsdt_lr_beta_2_8_22_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_1.o ccsdt_lr_beta_2_8_22_1_2.o ccsdt_lr_beta_2_8_22_1_3.o ccsdt_lr_beta_2_8_22_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_3_1.o ccsdt_lr_beta_2_8_22_1_3_2.o ccsdt_lr_beta_2_8_22_1_4.o ccsdt_lr_beta_2_8_22_1_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_4_1.o ccsdt_lr_beta_2_8_22_1_4_2.o ccsdt_lr_beta_2_8_22_2.o ccsdt_lr_beta_2_8_22_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_2_1.o ccsdt_lr_beta_2_8_22_3.o ccsdt_lr_beta_2_8_22_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_3_1.o ccsdt_lr_beta_2_8_22_4.o ccsdt_lr_beta_2_8_22_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_1.o ccsdt_lr_beta_2_8_22_4_2.o ccsdt_lr_beta_2_8_22_4_3.o ccsdt_lr_beta_2_8_22_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_3_1.o ccsdt_lr_beta_2_8_22_4_3_2.o ccsdt_lr_beta_2_8_22_4_4.o ccsdt_lr_beta_2_8_22_4_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_4_1.o ccsdt_lr_beta_2_8_22_4_4_2.o ccsdt_lr_beta_2_8_22_5.o ccsdt_lr_beta_2_8_22_5_1.o OFFSET_ccsdt_lr_beta_2_8_22_5_1.o ccsdt_lr_beta_2_8_22_6.o ccsdt_lr_beta_2_8_22_6_1.o OFFSET_ccsdt_lr_beta_2_8_22_6_1.o ccsdt_lr_beta_2_8_22_7.o ccsdt_lr_beta_2_8_22_7_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_1.o ccsdt_lr_beta_2_8_22_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_1_1.o ccsdt_lr_beta_2_8_22_7_2.o ccsdt_lr_beta_2_8_22_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_2_1.o ccsdt_lr_beta_2_8_22_8.o ccsdt_lr_beta_2_8_22_8_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_1.o ccsdt_lr_beta_2_8_22_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_1_1.o ccsdt_lr_beta_2_8_22_8_1_2.o ccsdt_lr_beta_2_8_22_8_2.o ccsdt_lr_beta_2_8_22_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_2_1.o ccsdt_lr_beta_2_8_22_8_2_2.o ccsdt_lr_beta_2_8_22_9.o ccsdt_lr_beta_2_8_22_9_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_1.o ccsdt_lr_beta_2_8_22_9_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_1_1.o ccsdt_lr_beta_2_8_22_9_2.o ccsdt_lr_beta_2_8_22_9_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_2_1.o ccsdt_lr_beta_2_8_22_10.o ccsdt_lr_beta_2_8_22_10_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_1.o ccsdt_lr_beta_2_8_22_10_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_1_1.o ccsdt_lr_beta_2_8_22_10_2.o ccsdt_lr_beta_2_8_22_10_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_2_1.o ccsdt_lr_beta_2_8_23.o ccsdt_lr_beta_2_8_23_1.o OFFSET_ccsdt_lr_beta_2_8_23_1.o ccsdt_lr_beta_2_8_23_1_1.o OFFSET_ccsdt_lr_beta_2_8_23_1_1.o ccsdt_lr_beta_2_8_23_2.o ccsdt_lr_beta_2_8_23_2_1.o OFFSET_ccsdt_lr_beta_2_8_23_2_1.o ccsdt_lr_beta_2_8_24.o ccsdt_lr_beta_2_8_24_1.o OFFSET_ccsdt_lr_beta_2_8_24_1.o ccsdt_lr_beta_2_8_24_1_1.o OFFSET_ccsdt_lr_beta_2_8_24_1_1.o ccsdt_lr_beta_2_8_24_2.o ccsdt_lr_beta_2_8_24_2_1.o OFFSET_ccsdt_lr_beta_2_8_24_2_1.o ccsdt_lr_beta_2_8_25.o ccsdt_lr_beta_2_8_25_1.o OFFSET_ccsdt_lr_beta_2_8_25_1.o ccsdt_lr_beta_2_8_25_1_1.o OFFSET_ccsdt_lr_beta_2_8_25_1_1.o ccsdt_lr_beta_2_8_25_2.o ccsdt_lr_beta_2_8_25_2_1.o OFFSET_ccsdt_lr_beta_2_8_25_2_1.o ccsdt_lr_beta_2_8_25_3.o ccsdt_lr_beta_2_8_25_3_1.o OFFSET_ccsdt_lr_beta_2_8_25_3_1.o ccsdt_lr_beta_2_8_25_4.o ccsdt_lr_beta_2_8_25_4_1.o OFFSET_ccsdt_lr_beta_2_8_25_4_1.o ccsdt_lr_beta_2_8_26.o ccsdt_lr_beta_2_8_26_1.o OFFSET_ccsdt_lr_beta_2_8_26_1.o ccsdt_lr_beta_2_8_26_1_1.o OFFSET_ccsdt_lr_beta_2_8_26_1_1.o ccsdt_lr_beta_2_8_26_2.o ccsdt_lr_beta_2_8_26_2_1.o OFFSET_ccsdt_lr_beta_2_8_26_2_1.o ccsdt_lr_beta_2_8_27.o ccsdt_lr_beta_2_8_27_1.o OFFSET_ccsdt_lr_beta_2_8_27_1.o ccsdt_lr_beta_2_8_27_1_1.o OFFSET_ccsdt_lr_beta_2_8_27_1_1.o ccsdt_lr_beta_2_8_27_2.o ccsdt_lr_beta_2_8_27_2_1.o OFFSET_ccsdt_lr_beta_2_8_27_2_1.o ccsdt_lr_beta_2_8_28.o ccsdt_lr_beta_2_8_28_1.o OFFSET_ccsdt_lr_beta_2_8_28_1.o ccsdt_lr_beta_2_8_28_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_1.o ccsdt_lr_beta_2_8_28_1_2.o ccsdt_lr_beta_2_8_28_1_3.o ccsdt_lr_beta_2_8_28_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_3_1.o ccsdt_lr_beta_2_8_28_1_3_2.o ccsdt_lr_beta_2_8_28_1_4.o ccsdt_lr_beta_2_8_28_1_4_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_4_1.o ccsdt_lr_beta_2_8_28_1_4_2.o ccsdt_lr_beta_2_8_28_2.o ccsdt_lr_beta_2_8_28_2_1.o OFFSET_ccsdt_lr_beta_2_8_28_2_1.o ccsdt_lr_beta_2_8_28_3.o ccsdt_lr_beta_2_8_28_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_3_1.o ccsdt_lr_beta_2_8_28_4.o ccsdt_lr_beta_2_8_28_4_1.o OFFSET_ccsdt_lr_beta_2_8_28_4_1.o ccsdt_lr_beta_2_8_28_4_2.o ccsdt_lr_beta_2_8_28_4_3.o ccsdt_lr_beta_2_8_28_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_4_3_1.o ccsdt_lr_beta_2_8_28_4_3_2.o ccsdt_lr_beta_2_8_28_5.o ccsdt_lr_beta_2_8_28_5_1.o OFFSET_ccsdt_lr_beta_2_8_28_5_1.o ccsdt_lr_beta_2_8_28_6.o ccsdt_lr_beta_2_8_28_6_1.o OFFSET_ccsdt_lr_beta_2_8_28_6_1.o ccsdt_lr_beta_2_8_28_7.o ccsdt_lr_beta_2_8_28_7_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_1.o ccsdt_lr_beta_2_8_28_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_1_1.o ccsdt_lr_beta_2_8_28_7_2.o ccsdt_lr_beta_2_8_28_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_2_1.o ccsdt_lr_beta_2_8_28_8.o ccsdt_lr_beta_2_8_28_8_1.o OFFSET_ccsdt_lr_beta_2_8_28_8_1.o ccsdt_lr_beta_2_8_28_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_8_1_1.o ccsdt_lr_beta_2_8_29.o ccsdt_lr_beta_2_8_29_1.o OFFSET_ccsdt_lr_beta_2_8_29_1.o ccsdt_lr_beta_2_8_29_1_1.o OFFSET_ccsdt_lr_beta_2_8_29_1_1.o ccsdt_lr_beta_2_8_29_2.o ccsdt_lr_beta_2_8_29_2_1.o OFFSET_ccsdt_lr_beta_2_8_29_2_1.o ccsdt_lr_beta_2_8_30.o ccsdt_lr_beta_2_8_30_1.o OFFSET_ccsdt_lr_beta_2_8_30_1.o ccsdt_lr_beta_2_8_30_1_1.o OFFSET_ccsdt_lr_beta_2_8_30_1_1.o ccsdt_lr_beta_2_8_30_2.o ccsdt_lr_beta_2_8_30_2_1.o OFFSET_ccsdt_lr_beta_2_8_30_2_1.o ccsdt_lr_beta_2_8_31.o ccsdt_lr_beta_2_8_31_1.o OFFSET_ccsdt_lr_beta_2_8_31_1.o ccsdt_lr_beta_2_8_31_1_1.o OFFSET_ccsdt_lr_beta_2_8_31_1_1.o ccsdt_lr_beta_2_8_31_2.o ccsdt_lr_beta_2_8_31_2_1.o OFFSET_ccsdt_lr_beta_2_8_31_2_1.o ccsdt_lr_beta_2_8_31_3.o ccsdt_lr_beta_2_8_31_3_1.o OFFSET_ccsdt_lr_beta_2_8_31_3_1.o ccsdt_lr_beta_2_8_31_4.o ccsdt_lr_beta_2_8_31_4_1.o OFFSET_ccsdt_lr_beta_2_8_31_4_1.o ccsdt_lr_beta_2_8_32.o ccsdt_lr_beta_2_8_32_1.o OFFSET_ccsdt_lr_beta_2_8_32_1.o ccsdt_lr_beta_2_8_32_1_1.o OFFSET_ccsdt_lr_beta_2_8_32_1_1.o ccsdt_lr_beta_2_8_32_2.o ccsdt_lr_beta_2_8_32_2_1.o OFFSET_ccsdt_lr_beta_2_8_32_2_1.o ccsdt_lr_beta_2_8_33.o ccsdt_lr_beta_2_8_33_1.o OFFSET_ccsdt_lr_beta_2_8_33_1.o ccsdt_lr_beta_2_8_33_1_1.o OFFSET_ccsdt_lr_beta_2_8_33_1_1.o ccsdt_lr_beta_2_8_33_2.o ccsdt_lr_beta_2_8_33_2_1.o OFFSET_ccsdt_lr_beta_2_8_33_2_1.o ccsdt_lr_beta_2_8_34.o ccsdt_lr_beta_2_8_34_1.o OFFSET_ccsdt_lr_beta_2_8_34_1.o ccsdt_lr_beta_2_8_34_1_1.o OFFSET_ccsdt_lr_beta_2_8_34_1_1.o ccsdt_lr_beta_2_8_34_2.o ccsdt_lr_beta_2_8_34_2_1.o OFFSET_ccsdt_lr_beta_2_8_34_2_1.o ccsdt_lr_beta_2_9.o ccsdt_lr_beta_2_9_1.o OFFSET_ccsdt_lr_beta_2_9_1.o ccsdt_lr_beta_2_9_1_1.o OFFSET_ccsdt_lr_beta_2_9_1_1.o ccsdt_lr_beta_2_9_2.o ccsdt_lr_beta_2_9_2_1.o OFFSET_ccsdt_lr_beta_2_9_2_1.o ccsdt_lr_beta_2_9_3.o ccsdt_lr_beta_2_9_3_1.o OFFSET_ccsdt_lr_beta_2_9_3_1.o ccsdt_lr_beta_2_9_4.o ccsdt_lr_beta_2_9_4_1.o OFFSET_ccsdt_lr_beta_2_9_4_1.o ccsdt_lr_beta_2_9_5.o ccsdt_lr_beta_2_9_5_1.o OFFSET_ccsdt_lr_beta_2_9_5_1.o ccsdt_lr_beta_2_9_6.o ccsdt_lr_beta_2_9_6_1.o OFFSET_ccsdt_lr_beta_2_9_6_1.o ccsdt_lr_beta_2_9_7.o ccsdt_lr_beta_2_9_7_1.o OFFSET_ccsdt_lr_beta_2_9_7_1.o ccsdt_lr_beta_2_9_8.o ccsdt_lr_beta_2_9_8_1.o OFFSET_ccsdt_lr_beta_2_9_8_1.o ccsdt_lr_beta_2_9_9.o ccsdt_lr_beta_2_9_9_1.o OFFSET_ccsdt_lr_beta_2_9_9_1.o ccsdt_lr_beta_2_9_10.o ccsdt_lr_beta_2_9_10_1.o OFFSET_ccsdt_lr_beta_2_9_10_1.o ccsdt_lr_beta_2_9_11.o ccsdt_lr_beta_2_9_11_1.o OFFSET_ccsdt_lr_beta_2_9_11_1.o ccsdt_lr_beta_2_9_11_1_1.o OFFSET_ccsdt_lr_beta_2_9_11_1_1.o ccsdt_lr_beta_2_9_11_2.o ccsdt_lr_beta_2_9_11_2_1.o OFFSET_ccsdt_lr_beta_2_9_11_2_1.o ccsdt_lr_beta_2_9_11_3.o ccsdt_lr_beta_2_9_11_3_1.o OFFSET_ccsdt_lr_beta_2_9_11_3_1.o ccsdt_lr_beta_2_9_11_4.o ccsdt_lr_beta_2_9_11_4_1.o OFFSET_ccsdt_lr_beta_2_9_11_4_1.o ccsdt_lr_beta_2_9_12.o ccsdt_lr_beta_2_9_12_1.o OFFSET_ccsdt_lr_beta_2_9_12_1.o ccsdt_lr_beta_2_9_12_1_1.o OFFSET_ccsdt_lr_beta_2_9_12_1_1.o ccsdt_lr_beta_2_9_12_2.o ccsdt_lr_beta_2_9_12_2_1.o OFFSET_ccsdt_lr_beta_2_9_12_2_1.o ccsdt_lr_beta_2_9_12_3.o ccsdt_lr_beta_2_9_12_3_1.o OFFSET_ccsdt_lr_beta_2_9_12_3_1.o ccsdt_lr_beta_2_9_12_4.o ccsdt_lr_beta_2_9_12_4_1.o OFFSET_ccsdt_lr_beta_2_9_12_4_1.o ccsdt_lr_beta_2_9_13.o ccsdt_lr_beta_2_9_13_1.o OFFSET_ccsdt_lr_beta_2_9_13_1.o ccsdt_lr_beta_2_9_13_1_1.o OFFSET_ccsdt_lr_beta_2_9_13_1_1.o ccsdt_lr_beta_2_9_13_2.o ccsdt_lr_beta_2_9_13_2_1.o OFFSET_ccsdt_lr_beta_2_9_13_2_1.o ccsdt_lr_beta_2_9_13_3.o ccsdt_lr_beta_2_9_13_3_1.o OFFSET_ccsdt_lr_beta_2_9_13_3_1.o ccsdt_lr_beta_2_9_13_4.o ccsdt_lr_beta_2_9_13_4_1.o OFFSET_ccsdt_lr_beta_2_9_13_4_1.o ccsdt_lr_beta_3.o ccsdt_lr_beta_3_1.o ccsdt_lr_beta_3_1_1.o OFFSET_ccsdt_lr_beta_3_1_1.o ccsdt_lr_beta_3_1_1_1.o OFFSET_ccsdt_lr_beta_3_1_1_1.o ccsdt_lr_beta_3_1_1_2.o ccsdt_lr_beta_3_1_1_3.o ccsdt_lr_beta_3_1_2.o ccsdt_lr_beta_3_1_2_1.o OFFSET_ccsdt_lr_beta_3_1_2_1.o ccsdt_lr_beta_3_1_2_2.o ccsdt_lr_beta_3_1_2_3.o ccsdt_lr_beta_3_1_3.o ccsdt_lr_beta_3_1_3_1.o OFFSET_ccsdt_lr_beta_3_1_3_1.o ccsdt_lr_beta_3_1_3_2.o ccsdt_lr_beta_3_1_4.o ccsdt_lr_beta_3_1_4_1.o OFFSET_ccsdt_lr_beta_3_1_4_1.o ccsdt_lr_beta_3_1_5.o ccsdt_lr_beta_3_1_5_1.o OFFSET_ccsdt_lr_beta_3_1_5_1.o ccsdt_lr_beta_3_1_5_2.o ccsdt_lr_beta_3_1_6.o ccsdt_lr_beta_3_1_6_1.o OFFSET_ccsdt_lr_beta_3_1_6_1.o ccsdt_lr_beta_4.o ccsdt_lr_beta_4_1.o ccsdt_lr_beta_4_1_1.o OFFSET_ccsdt_lr_beta_4_1_1.o ccsdt_lr_beta_4_1_1_1.o OFFSET_ccsdt_lr_beta_4_1_1_1.o ccsdt_lr_beta_4_1_1_1_1.o OFFSET_ccsdt_lr_beta_4_1_1_1_1.o ccsdt_lr_beta_4_1_1_2.o ccsdt_lr_beta_4_1_1_2_1.o OFFSET_ccsdt_lr_beta_4_1_1_2_1.o ccsdt_lr_beta_4_1_2.o ccsdt_lr_beta_4_1_2_1.o OFFSET_ccsdt_lr_beta_4_1_2_1.o ccsdt_lr_beta_4_1_2_1_1.o OFFSET_ccsdt_lr_beta_4_1_2_1_1.o ccsdt_lr_beta_4_1_2_2.o ccsdt_lr_beta_4_1_2_2_1.o OFFSET_ccsdt_lr_beta_4_1_2_2_1.o ccsdt_lr_beta_4_1_3.o ccsdt_lr_beta_4_1_3_1.o OFFSET_ccsdt_lr_beta_4_1_3_1.o ccsdt_lr_beta_4_1_3_1_1.o OFFSET_ccsdt_lr_beta_4_1_3_1_1.o ccsdt_lr_beta_4_1_3_2.o ccsdt_lr_beta_4_1_3_2_1.o OFFSET_ccsdt_lr_beta_4_1_3_2_1.o ccsdt_lr_beta_4_2.o ccsdt_lr_beta_4_2_1.o OFFSET_ccsdt_lr_beta_4_2_1.o ccsdt_lr_beta_4_2_1_1.o OFFSET_ccsdt_lr_beta_4_2_1_1.o ccsdt_lr_beta_4_2_1_1_1.o OFFSET_ccsdt_lr_beta_4_2_1_1_1.o ccsdt_lr_beta_4_2_1_1_2.o ccsdt_lr_beta_4_2_1_2.o ccsdt_lr_beta_4_2_1_2_1.o OFFSET_ccsdt_lr_beta_4_2_1_2_1.o ccsdt_lr_beta_4_2_1_2_2.o ccsdt_lr_beta_4_2_2.o ccsdt_lr_beta_4_2_2_1.o OFFSET_ccsdt_lr_beta_4_2_2_1.o ccsdt_lr_beta_4_2_2_1_1.o OFFSET_ccsdt_lr_beta_4_2_2_1_1.o ccsdt_lr_beta_4_2_2_2.o ccsdt_lr_beta_4_2_2_2_1.o OFFSET_ccsdt_lr_beta_4_2_2_2_1.o ccsdt_lr_beta_4_2_3.o ccsdt_lr_beta_4_2_3_1.o OFFSET_ccsdt_lr_beta_4_2_3_1.o ccsdt_lr_beta_4_2_3_1_1.o OFFSET_ccsdt_lr_beta_4_2_3_1_1.o ccsdt_lr_beta_4_2_3_1_2.o ccsdt_lr_beta_4_2_3_2.o ccsdt_lr_beta_4_2_3_2_1.o OFFSET_ccsdt_lr_beta_4_2_3_2_1.o ccsdt_lr_beta_4_2_3_2_2.o ccsdt_lr_beta_4_2_4.o ccsdt_lr_beta_4_2_4_1.o OFFSET_ccsdt_lr_beta_4_2_4_1.o ccsdt_lr_beta_4_2_4_1_1.o OFFSET_ccsdt_lr_beta_4_2_4_1_1.o ccsdt_lr_beta_4_2_4_2.o ccsdt_lr_beta_4_2_4_2_1.o OFFSET_ccsdt_lr_beta_4_2_4_2_1.o ccsdt_lr_beta_4_2_5.o ccsdt_lr_beta_4_2_5_1.o OFFSET_ccsdt_lr_beta_4_2_5_1.o ccsdt_lr_beta_4_2_5_1_1.o OFFSET_ccsdt_lr_beta_4_2_5_1_1.o ccsdt_lr_beta_4_2_5_1_2.o ccsdt_lr_beta_4_2_5_2.o ccsdt_lr_beta_4_2_5_2_1.o OFFSET_ccsdt_lr_beta_4_2_5_2_1.o ccsdt_lr_beta_4_2_5_2_2.o ccsdt_lr_beta_4_2_6.o ccsdt_lr_beta_4_2_6_1.o OFFSET_ccsdt_lr_beta_4_2_6_1.o ccsdt_lr_beta_4_2_6_1_1.o OFFSET_ccsdt_lr_beta_4_2_6_1_1.o ccsdt_lr_beta_4_2_6_2.o ccsdt_lr_beta_4_2_6_2_1.o OFFSET_ccsdt_lr_beta_4_2_6_2_1.o ccsdt_lr_beta_4_3.o ccsdt_lr_beta_4_3_1.o OFFSET_ccsdt_lr_beta_4_3_1.o ccsdt_lr_beta_4_3_1_1.o OFFSET_ccsdt_lr_beta_4_3_1_1.o ccsdt_lr_beta_4_3_1_1_1.o OFFSET_ccsdt_lr_beta_4_3_1_1_1.o ccsdt_lr_beta_4_3_1_2.o ccsdt_lr_beta_4_3_1_2_1.o OFFSET_ccsdt_lr_beta_4_3_1_2_1.o ccsdt_lr_beta_4_3_1_3.o ccsdt_lr_beta_4_3_1_3_1.o OFFSET_ccsdt_lr_beta_4_3_1_3_1.o ccsdt_lr_beta_4_3_1_4.o ccsdt_lr_beta_4_3_1_4_1.o OFFSET_ccsdt_lr_beta_4_3_1_4_1.o ccsdt_lr_beta_4_3_1_5.o ccsdt_lr_beta_4_3_1_5_1.o OFFSET_ccsdt_lr_beta_4_3_1_5_1.o ccsdt_lr_beta_4_3_1_6.o ccsdt_lr_beta_4_3_1_6_1.o OFFSET_ccsdt_lr_beta_4_3_1_6_1.o ccsdt_lr_beta_4_3_2.o ccsdt_lr_beta_4_3_2_1.o OFFSET_ccsdt_lr_beta_4_3_2_1.o ccsdt_lr_beta_4_3_2_1_1.o OFFSET_ccsdt_lr_beta_4_3_2_1_1.o ccsdt_lr_beta_4_3_2_2.o ccsdt_lr_beta_4_3_2_2_1.o OFFSET_ccsdt_lr_beta_4_3_2_2_1.o ccsdt_lr_beta_4_3_3.o ccsdt_lr_beta_4_3_3_1.o OFFSET_ccsdt_lr_beta_4_3_3_1.o ccsdt_lr_beta_4_3_3_1_1.o OFFSET_ccsdt_lr_beta_4_3_3_1_1.o ccsdt_lr_beta_4_3_3_2.o ccsdt_lr_beta_4_3_3_2_1.o OFFSET_ccsdt_lr_beta_4_3_3_2_1.o ccsdt_lr_beta_4_3_3_3.o ccsdt_lr_beta_4_3_3_3_1.o OFFSET_ccsdt_lr_beta_4_3_3_3_1.o ccsdt_lr_beta_4_3_3_4.o ccsdt_lr_beta_4_3_3_4_1.o OFFSET_ccsdt_lr_beta_4_3_3_4_1.o ccsdt_lr_beta_4_3_3_5.o ccsdt_lr_beta_4_3_3_5_1.o OFFSET_ccsdt_lr_beta_4_3_3_5_1.o ccsdt_lr_beta_4_3_3_6.o ccsdt_lr_beta_4_3_3_6_1.o OFFSET_ccsdt_lr_beta_4_3_3_6_1.o ccsdt_lr_beta_4_3_4.o ccsdt_lr_beta_4_3_4_1.o OFFSET_ccsdt_lr_beta_4_3_4_1.o ccsdt_lr_beta_4_3_4_1_1.o OFFSET_ccsdt_lr_beta_4_3_4_1_1.o ccsdt_lr_beta_4_3_4_2.o ccsdt_lr_beta_4_3_4_2_1.o OFFSET_ccsdt_lr_beta_4_3_4_2_1.o ccsdt_lr_beta_4_3_4_3.o ccsdt_lr_beta_4_3_4_3_1.o OFFSET_ccsdt_lr_beta_4_3_4_3_1.o ccsdt_lr_beta_4_3_4_4.o ccsdt_lr_beta_4_3_4_4_1.o OFFSET_ccsdt_lr_beta_4_3_4_4_1.o ccsdt_lr_beta_4_3_4_5.o ccsdt_lr_beta_4_3_4_5_1.o OFFSET_ccsdt_lr_beta_4_3_4_5_1.o ccsdt_lr_beta_4_3_4_6.o ccsdt_lr_beta_4_3_4_6_1.o OFFSET_ccsdt_lr_beta_4_3_4_6_1.o ccsdt_lr_beta_4_3_5.o ccsdt_lr_beta_4_3_5_1.o OFFSET_ccsdt_lr_beta_4_3_5_1.o ccsdt_lr_beta_4_3_5_1_1.o OFFSET_ccsdt_lr_beta_4_3_5_1_1.o ccsdt_lr_beta_4_3_5_2.o ccsdt_lr_beta_4_3_5_2_1.o OFFSET_ccsdt_lr_beta_4_3_5_2_1.o ccsdt_lr_beta_4_3_6.o ccsdt_lr_beta_4_3_6_1.o OFFSET_ccsdt_lr_beta_4_3_6_1.o ccsdt_lr_beta_4_3_6_1_1.o OFFSET_ccsdt_lr_beta_4_3_6_1_1.o ccsdt_lr_beta_4_3_6_2.o ccsdt_lr_beta_4_3_6_2_1.o OFFSET_ccsdt_lr_beta_4_3_6_2_1.o ccsdt_lr_beta_4_4.o ccsdt_lr_beta_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_1.o ccsdt_lr_beta_4_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_1.o ccsdt_lr_beta_4_4_1_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_1.o ccsdt_lr_beta_4_4_1_1_2.o ccsdt_lr_beta_4_4_1_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_2_1.o ccsdt_lr_beta_4_4_1_1_2_2.o ccsdt_lr_beta_4_4_1_1_3.o ccsdt_lr_beta_4_4_1_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_3_1.o ccsdt_lr_beta_4_4_1_1_3_2.o ccsdt_lr_beta_4_4_1_1_4.o ccsdt_lr_beta_4_4_1_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_4_1.o ccsdt_lr_beta_4_4_1_1_4_2.o ccsdt_lr_beta_4_4_1_2.o ccsdt_lr_beta_4_4_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_2_1.o ccsdt_lr_beta_4_4_1_3.o ccsdt_lr_beta_4_4_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_3_1.o ccsdt_lr_beta_4_4_1_4.o ccsdt_lr_beta_4_4_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_1.o ccsdt_lr_beta_4_4_1_4_2.o ccsdt_lr_beta_4_4_1_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_2_1.o ccsdt_lr_beta_4_4_1_4_2_2.o ccsdt_lr_beta_4_4_1_4_3.o ccsdt_lr_beta_4_4_1_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_3_1.o ccsdt_lr_beta_4_4_1_4_3_2.o ccsdt_lr_beta_4_4_1_5.o ccsdt_lr_beta_4_4_1_5_1.o OFFSET_ccsdt_lr_beta_4_4_1_5_1.o ccsdt_lr_beta_4_4_1_6.o ccsdt_lr_beta_4_4_1_6_1.o OFFSET_ccsdt_lr_beta_4_4_1_6_1.o ccsdt_lr_beta_4_4_1_7.o ccsdt_lr_beta_4_4_1_7_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_1.o ccsdt_lr_beta_4_4_1_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_1_1.o ccsdt_lr_beta_4_4_1_7_2.o ccsdt_lr_beta_4_4_1_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_2_1.o ccsdt_lr_beta_4_4_1_8.o ccsdt_lr_beta_4_4_1_8_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_1.o ccsdt_lr_beta_4_4_1_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_1_1.o ccsdt_lr_beta_4_4_1_8_2.o ccsdt_lr_beta_4_4_1_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_2_1.o ccsdt_lr_beta_4_4_1_9.o ccsdt_lr_beta_4_4_1_9_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_1.o ccsdt_lr_beta_4_4_1_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_1_1.o ccsdt_lr_beta_4_4_1_9_1_2.o ccsdt_lr_beta_4_4_1_9_2.o ccsdt_lr_beta_4_4_1_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_2_1.o ccsdt_lr_beta_4_4_1_9_2_2.o ccsdt_lr_beta_4_4_1_10.o ccsdt_lr_beta_4_4_1_10_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_1.o ccsdt_lr_beta_4_4_1_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_1_1.o ccsdt_lr_beta_4_4_1_10_2.o ccsdt_lr_beta_4_4_1_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_2_1.o ccsdt_lr_beta_4_4_2.o ccsdt_lr_beta_4_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_2_1.o ccsdt_lr_beta_4_4_2_1_1.o OFFSET_ccsdt_lr_beta_4_4_2_1_1.o ccsdt_lr_beta_4_4_2_2.o ccsdt_lr_beta_4_4_2_2_1.o OFFSET_ccsdt_lr_beta_4_4_2_2_1.o ccsdt_lr_beta_4_4_3.o ccsdt_lr_beta_4_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_3_1.o ccsdt_lr_beta_4_4_3_1_1.o OFFSET_ccsdt_lr_beta_4_4_3_1_1.o ccsdt_lr_beta_4_4_3_2.o ccsdt_lr_beta_4_4_3_2_1.o OFFSET_ccsdt_lr_beta_4_4_3_2_1.o ccsdt_lr_beta_4_4_4.o ccsdt_lr_beta_4_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_4_1.o ccsdt_lr_beta_4_4_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_4_1_1.o ccsdt_lr_beta_4_4_4_2.o ccsdt_lr_beta_4_4_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_4_2_1.o ccsdt_lr_beta_4_4_5.o ccsdt_lr_beta_4_4_5_1.o OFFSET_ccsdt_lr_beta_4_4_5_1.o ccsdt_lr_beta_4_4_5_1_1.o OFFSET_ccsdt_lr_beta_4_4_5_1_1.o ccsdt_lr_beta_4_4_5_2.o ccsdt_lr_beta_4_4_5_2_1.o OFFSET_ccsdt_lr_beta_4_4_5_2_1.o ccsdt_lr_beta_4_4_5_3.o ccsdt_lr_beta_4_4_5_3_1.o OFFSET_ccsdt_lr_beta_4_4_5_3_1.o ccsdt_lr_beta_4_4_5_4.o ccsdt_lr_beta_4_4_5_4_1.o OFFSET_ccsdt_lr_beta_4_4_5_4_1.o ccsdt_lr_beta_4_4_6.o ccsdt_lr_beta_4_4_6_1.o OFFSET_ccsdt_lr_beta_4_4_6_1.o ccsdt_lr_beta_4_4_6_1_1.o OFFSET_ccsdt_lr_beta_4_4_6_1_1.o ccsdt_lr_beta_4_4_6_2.o ccsdt_lr_beta_4_4_6_2_1.o OFFSET_ccsdt_lr_beta_4_4_6_2_1.o ccsdt_lr_beta_4_4_7.o ccsdt_lr_beta_4_4_7_1.o OFFSET_ccsdt_lr_beta_4_4_7_1.o ccsdt_lr_beta_4_4_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_7_1_1.o ccsdt_lr_beta_4_4_7_2.o ccsdt_lr_beta_4_4_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_7_2_1.o ccsdt_lr_beta_4_4_8.o ccsdt_lr_beta_4_4_8_1.o OFFSET_ccsdt_lr_beta_4_4_8_1.o ccsdt_lr_beta_4_4_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_8_1_1.o ccsdt_lr_beta_4_4_8_2.o ccsdt_lr_beta_4_4_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_8_2_1.o ccsdt_lr_beta_4_4_9.o ccsdt_lr_beta_4_4_9_1.o OFFSET_ccsdt_lr_beta_4_4_9_1.o ccsdt_lr_beta_4_4_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_1.o ccsdt_lr_beta_4_4_9_1_2.o ccsdt_lr_beta_4_4_9_1_3.o ccsdt_lr_beta_4_4_9_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_3_1.o ccsdt_lr_beta_4_4_9_1_3_2.o ccsdt_lr_beta_4_4_9_1_4.o ccsdt_lr_beta_4_4_9_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_4_1.o ccsdt_lr_beta_4_4_9_1_4_2.o ccsdt_lr_beta_4_4_9_2.o ccsdt_lr_beta_4_4_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_2_1.o ccsdt_lr_beta_4_4_9_3.o ccsdt_lr_beta_4_4_9_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_3_1.o ccsdt_lr_beta_4_4_9_4.o ccsdt_lr_beta_4_4_9_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_1.o ccsdt_lr_beta_4_4_9_4_2.o ccsdt_lr_beta_4_4_9_4_3.o ccsdt_lr_beta_4_4_9_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_3_1.o ccsdt_lr_beta_4_4_9_4_3_2.o ccsdt_lr_beta_4_4_9_4_4.o ccsdt_lr_beta_4_4_9_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_4_1.o ccsdt_lr_beta_4_4_9_4_4_2.o ccsdt_lr_beta_4_4_9_5.o ccsdt_lr_beta_4_4_9_5_1.o OFFSET_ccsdt_lr_beta_4_4_9_5_1.o ccsdt_lr_beta_4_4_9_6.o ccsdt_lr_beta_4_4_9_6_1.o OFFSET_ccsdt_lr_beta_4_4_9_6_1.o ccsdt_lr_beta_4_4_9_7.o ccsdt_lr_beta_4_4_9_7_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_1.o ccsdt_lr_beta_4_4_9_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_1_1.o ccsdt_lr_beta_4_4_9_7_2.o ccsdt_lr_beta_4_4_9_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_2_1.o ccsdt_lr_beta_4_4_9_8.o ccsdt_lr_beta_4_4_9_8_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_1.o ccsdt_lr_beta_4_4_9_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_1_1.o ccsdt_lr_beta_4_4_9_8_1_2.o ccsdt_lr_beta_4_4_9_8_2.o ccsdt_lr_beta_4_4_9_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_2_1.o ccsdt_lr_beta_4_4_9_8_2_2.o ccsdt_lr_beta_4_4_9_9.o ccsdt_lr_beta_4_4_9_9_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_1.o ccsdt_lr_beta_4_4_9_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_1_1.o ccsdt_lr_beta_4_4_9_9_2.o ccsdt_lr_beta_4_4_9_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_2_1.o ccsdt_lr_beta_4_4_9_10.o ccsdt_lr_beta_4_4_9_10_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_1.o ccsdt_lr_beta_4_4_9_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_1_1.o ccsdt_lr_beta_4_4_9_10_2.o ccsdt_lr_beta_4_4_9_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_2_1.o ccsdt_lr_beta_4_4_10.o ccsdt_lr_beta_4_4_10_1.o OFFSET_ccsdt_lr_beta_4_4_10_1.o ccsdt_lr_beta_4_4_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_10_1_1.o ccsdt_lr_beta_4_4_10_2.o ccsdt_lr_beta_4_4_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_10_2_1.o ccsdt_lr_beta_4_4_11.o ccsdt_lr_beta_4_4_11_1.o OFFSET_ccsdt_lr_beta_4_4_11_1.o ccsdt_lr_beta_4_4_11_1_1.o OFFSET_ccsdt_lr_beta_4_4_11_1_1.o ccsdt_lr_beta_4_4_11_2.o ccsdt_lr_beta_4_4_11_2_1.o OFFSET_ccsdt_lr_beta_4_4_11_2_1.o ccsdt_lr_beta_4_4_12.o ccsdt_lr_beta_4_4_12_1.o OFFSET_ccsdt_lr_beta_4_4_12_1.o ccsdt_lr_beta_4_4_12_1_1.o OFFSET_ccsdt_lr_beta_4_4_12_1_1.o ccsdt_lr_beta_4_4_12_2.o ccsdt_lr_beta_4_4_12_2_1.o OFFSET_ccsdt_lr_beta_4_4_12_2_1.o ccsdt_lr_beta_4_4_13.o ccsdt_lr_beta_4_4_13_1.o OFFSET_ccsdt_lr_beta_4_4_13_1.o ccsdt_lr_beta_4_4_13_1_1.o OFFSET_ccsdt_lr_beta_4_4_13_1_1.o ccsdt_lr_beta_4_4_13_2.o ccsdt_lr_beta_4_4_13_2_1.o OFFSET_ccsdt_lr_beta_4_4_13_2_1.o ccsdt_lr_beta_4_4_13_3.o ccsdt_lr_beta_4_4_13_3_1.o OFFSET_ccsdt_lr_beta_4_4_13_3_1.o ccsdt_lr_beta_4_4_13_4.o ccsdt_lr_beta_4_4_13_4_1.o OFFSET_ccsdt_lr_beta_4_4_13_4_1.o ccsdt_lr_beta_4_4_14.o ccsdt_lr_beta_4_4_14_1.o OFFSET_ccsdt_lr_beta_4_4_14_1.o ccsdt_lr_beta_4_4_14_1_1.o OFFSET_ccsdt_lr_beta_4_4_14_1_1.o ccsdt_lr_beta_4_4_14_2.o ccsdt_lr_beta_4_4_14_2_1.o OFFSET_ccsdt_lr_beta_4_4_14_2_1.o ccsdt_lr_beta_4_4_15.o ccsdt_lr_beta_4_4_15_1.o OFFSET_ccsdt_lr_beta_4_4_15_1.o ccsdt_lr_beta_4_4_15_1_1.o OFFSET_ccsdt_lr_beta_4_4_15_1_1.o ccsdt_lr_beta_4_4_15_2.o ccsdt_lr_beta_4_4_15_2_1.o OFFSET_ccsdt_lr_beta_4_4_15_2_1.o ccsdt_lr_beta_4_4_16.o ccsdt_lr_beta_4_4_16_1.o OFFSET_ccsdt_lr_beta_4_4_16_1.o ccsdt_lr_beta_4_4_16_1_1.o OFFSET_ccsdt_lr_beta_4_4_16_1_1.o ccsdt_lr_beta_4_4_16_2.o ccsdt_lr_beta_4_4_16_2_1.o OFFSET_ccsdt_lr_beta_4_4_16_2_1.o ccsdt_lr_beta_4_4_17.o ccsdt_lr_beta_4_4_17_1.o OFFSET_ccsdt_lr_beta_4_4_17_1.o ccsdt_lr_beta_4_4_17_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_1.o ccsdt_lr_beta_4_4_17_1_2.o ccsdt_lr_beta_4_4_17_1_3.o ccsdt_lr_beta_4_4_17_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_3_1.o ccsdt_lr_beta_4_4_17_1_3_2.o ccsdt_lr_beta_4_4_17_1_4.o ccsdt_lr_beta_4_4_17_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_4_1.o ccsdt_lr_beta_4_4_17_1_4_2.o ccsdt_lr_beta_4_4_17_2.o ccsdt_lr_beta_4_4_17_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_2_1.o ccsdt_lr_beta_4_4_17_3.o ccsdt_lr_beta_4_4_17_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_3_1.o ccsdt_lr_beta_4_4_17_4.o ccsdt_lr_beta_4_4_17_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_1.o ccsdt_lr_beta_4_4_17_4_2.o ccsdt_lr_beta_4_4_17_4_3.o ccsdt_lr_beta_4_4_17_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_3_1.o ccsdt_lr_beta_4_4_17_4_3_2.o ccsdt_lr_beta_4_4_17_4_4.o ccsdt_lr_beta_4_4_17_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_4_1.o ccsdt_lr_beta_4_4_17_4_4_2.o ccsdt_lr_beta_4_4_17_5.o ccsdt_lr_beta_4_4_17_5_1.o OFFSET_ccsdt_lr_beta_4_4_17_5_1.o ccsdt_lr_beta_4_4_17_6.o ccsdt_lr_beta_4_4_17_6_1.o OFFSET_ccsdt_lr_beta_4_4_17_6_1.o ccsdt_lr_beta_4_4_17_7.o ccsdt_lr_beta_4_4_17_7_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_1.o ccsdt_lr_beta_4_4_17_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_1_1.o ccsdt_lr_beta_4_4_17_7_2.o ccsdt_lr_beta_4_4_17_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_2_1.o ccsdt_lr_beta_4_4_17_8.o ccsdt_lr_beta_4_4_17_8_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_1.o ccsdt_lr_beta_4_4_17_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_1_1.o ccsdt_lr_beta_4_4_17_8_2.o ccsdt_lr_beta_4_4_17_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_2_1.o ccsdt_lr_beta_4_4_17_9.o ccsdt_lr_beta_4_4_17_9_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_1.o ccsdt_lr_beta_4_4_17_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_1_1.o ccsdt_lr_beta_4_4_17_9_1_2.o ccsdt_lr_beta_4_4_17_9_2.o ccsdt_lr_beta_4_4_17_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_2_1.o ccsdt_lr_beta_4_4_17_9_2_2.o ccsdt_lr_beta_4_4_17_10.o ccsdt_lr_beta_4_4_17_10_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_1.o ccsdt_lr_beta_4_4_17_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_1_1.o ccsdt_lr_beta_4_4_17_10_2.o ccsdt_lr_beta_4_4_17_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_2_1.o ccsdt_lr_beta_4_4_18.o ccsdt_lr_beta_4_4_18_1.o OFFSET_ccsdt_lr_beta_4_4_18_1.o ccsdt_lr_beta_4_4_18_1_1.o OFFSET_ccsdt_lr_beta_4_4_18_1_1.o ccsdt_lr_beta_4_4_18_2.o ccsdt_lr_beta_4_4_18_2_1.o OFFSET_ccsdt_lr_beta_4_4_18_2_1.o ccsdt_lr_beta_4_4_19.o ccsdt_lr_beta_4_4_19_1.o OFFSET_ccsdt_lr_beta_4_4_19_1.o ccsdt_lr_beta_4_4_19_1_1.o OFFSET_ccsdt_lr_beta_4_4_19_1_1.o ccsdt_lr_beta_4_4_19_2.o ccsdt_lr_beta_4_4_19_2_1.o OFFSET_ccsdt_lr_beta_4_4_19_2_1.o ccsdt_lr_beta_4_4_20.o ccsdt_lr_beta_4_4_20_1.o OFFSET_ccsdt_lr_beta_4_4_20_1.o ccsdt_lr_beta_4_4_20_1_1.o OFFSET_ccsdt_lr_beta_4_4_20_1_1.o ccsdt_lr_beta_4_4_20_2.o ccsdt_lr_beta_4_4_20_2_1.o OFFSET_ccsdt_lr_beta_4_4_20_2_1.o ccsdt_lr_beta_4_4_21.o ccsdt_lr_beta_4_4_21_1.o OFFSET_ccsdt_lr_beta_4_4_21_1.o ccsdt_lr_beta_4_4_21_1_1.o OFFSET_ccsdt_lr_beta_4_4_21_1_1.o ccsdt_lr_beta_4_4_21_2.o ccsdt_lr_beta_4_4_21_2_1.o OFFSET_ccsdt_lr_beta_4_4_21_2_1.o ccsdt_lr_beta_4_4_21_3.o ccsdt_lr_beta_4_4_21_3_1.o OFFSET_ccsdt_lr_beta_4_4_21_3_1.o ccsdt_lr_beta_4_4_21_4.o ccsdt_lr_beta_4_4_21_4_1.o OFFSET_ccsdt_lr_beta_4_4_21_4_1.o ccsdt_lr_beta_4_4_22.o ccsdt_lr_beta_4_4_22_1.o OFFSET_ccsdt_lr_beta_4_4_22_1.o ccsdt_lr_beta_4_4_22_1_1.o OFFSET_ccsdt_lr_beta_4_4_22_1_1.o ccsdt_lr_beta_4_4_22_2.o ccsdt_lr_beta_4_4_22_2_1.o OFFSET_ccsdt_lr_beta_4_4_22_2_1.o ccsdt_lr_beta_4_4_23.o ccsdt_lr_beta_4_4_23_1.o OFFSET_ccsdt_lr_beta_4_4_23_1.o ccsdt_lr_beta_4_4_23_1_1.o OFFSET_ccsdt_lr_beta_4_4_23_1_1.o ccsdt_lr_beta_4_4_23_2.o ccsdt_lr_beta_4_4_23_2_1.o OFFSET_ccsdt_lr_beta_4_4_23_2_1.o ccsdt_lr_beta_4_4_24.o ccsdt_lr_beta_4_4_24_1.o OFFSET_ccsdt_lr_beta_4_4_24_1.o ccsdt_lr_beta_4_4_24_1_1.o OFFSET_ccsdt_lr_beta_4_4_24_1_1.o ccsdt_lr_beta_4_4_24_2.o ccsdt_lr_beta_4_4_24_2_1.o OFFSET_ccsdt_lr_beta_4_4_24_2_1.o ccsdt_lr_beta_4_4_25.o ccsdt_lr_beta_4_4_25_1.o OFFSET_ccsdt_lr_beta_4_4_25_1.o ccsdt_lr_beta_4_4_25_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_1.o ccsdt_lr_beta_4_4_25_1_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_1_1.o ccsdt_lr_beta_4_4_25_1_1_2.o ccsdt_lr_beta_4_4_25_1_2.o ccsdt_lr_beta_4_4_25_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_2_1.o ccsdt_lr_beta_4_4_25_1_2_2.o ccsdt_lr_beta_4_4_25_2.o ccsdt_lr_beta_4_4_25_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_1.o ccsdt_lr_beta_4_4_25_2_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_1_1.o ccsdt_lr_beta_4_4_25_2_2.o ccsdt_lr_beta_4_4_25_2_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.o ccsdt_lr_beta_4_4_25_3.o ccsdt_lr_beta_4_4_25_3_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_1.o ccsdt_lr_beta_4_4_25_3_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.o ccsdt_lr_beta_4_4_25_3_1_2.o ccsdt_lr_beta_4_4_25_3_2.o ccsdt_lr_beta_4_4_25_3_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.o ccsdt_lr_beta_4_4_25_3_2_2.o ccsdt_lr_beta_4_4_25_4.o ccsdt_lr_beta_4_4_25_4_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_1.o ccsdt_lr_beta_4_4_25_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.o ccsdt_lr_beta_4_4_25_4_2.o ccsdt_lr_beta_4_4_25_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.o ccsdt_lr_beta_4_4_25_5.o ccsdt_lr_beta_4_4_25_5_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_1.o ccsdt_lr_beta_4_4_25_5_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_1_1.o ccsdt_lr_beta_4_4_25_5_1_2.o ccsdt_lr_beta_4_4_25_5_2.o ccsdt_lr_beta_4_4_25_5_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_2_1.o ccsdt_lr_beta_4_4_25_5_2_2.o ccsdt_lr_beta_4_4_25_6.o ccsdt_lr_beta_4_4_25_6_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_1.o ccsdt_lr_beta_4_4_25_6_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_1_1.o ccsdt_lr_beta_4_4_25_6_2.o ccsdt_lr_beta_4_4_25_6_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_2_1.o ccsdt_lr_beta_4_5.o ccsdt_lr_beta_4_5_1.o OFFSET_ccsdt_lr_beta_4_5_1.o ccsdt_lr_beta_4_5_1_1.o OFFSET_ccsdt_lr_beta_4_5_1_1.o ccsdt_lr_beta_4_5_1_1_1.o OFFSET_ccsdt_lr_beta_4_5_1_1_1.o ccsdt_lr_beta_4_5_1_2.o ccsdt_lr_beta_4_5_1_2_1.o OFFSET_ccsdt_lr_beta_4_5_1_2_1.o ccsdt_lr_beta_4_5_1_3.o ccsdt_lr_beta_4_5_1_3_1.o OFFSET_ccsdt_lr_beta_4_5_1_3_1.o ccsdt_lr_beta_4_5_1_4.o ccsdt_lr_beta_4_5_1_4_1.o OFFSET_ccsdt_lr_beta_4_5_1_4_1.o ccsdt_lr_beta_4_5_2.o ccsdt_lr_beta_4_5_2_1.o OFFSET_ccsdt_lr_beta_4_5_2_1.o ccsdt_lr_beta_4_5_2_1_1.o OFFSET_ccsdt_lr_beta_4_5_2_1_1.o ccsdt_lr_beta_4_5_2_2.o ccsdt_lr_beta_4_5_2_2_1.o OFFSET_ccsdt_lr_beta_4_5_2_2_1.o ccsdt_lr_beta_4_5_2_3.o ccsdt_lr_beta_4_5_2_3_1.o OFFSET_ccsdt_lr_beta_4_5_2_3_1.o ccsdt_lr_beta_4_5_2_4.o ccsdt_lr_beta_4_5_2_4_1.o OFFSET_ccsdt_lr_beta_4_5_2_4_1.o ccsdt_lr_beta_4_5_3.o ccsdt_lr_beta_4_5_3_1.o OFFSET_ccsdt_lr_beta_4_5_3_1.o ccsdt_lr_beta_4_5_3_1_1.o OFFSET_ccsdt_lr_beta_4_5_3_1_1.o ccsdt_lr_beta_4_5_3_2.o ccsdt_lr_beta_4_5_3_2_1.o OFFSET_ccsdt_lr_beta_4_5_3_2_1.o ccsdt_lr_beta_4_5_3_3.o ccsdt_lr_beta_4_5_3_3_1.o OFFSET_ccsdt_lr_beta_4_5_3_3_1.o ccsdt_lr_beta_4_5_3_4.o ccsdt_lr_beta_4_5_3_4_1.o OFFSET_ccsdt_lr_beta_4_5_3_4_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... 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Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdt_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eomccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_alpha grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdtq_e.F... Compiling ccsdtq_t1.F... Compiling ccsdtq_t2.F... Compiling ccsdtq_t3.F... Compiling ccsdtq_t4.F... Compiling ccsdtq_t3_1.F... Compiling ccsdtq_t3_1_1.F... Compiling OFFSET_ccsdtq_t3_1_1.F... Compiling ccsdtq_t3_1_2.F... Compiling ccsdtq_t3_1_2_1.F... Compiling OFFSET_ccsdtq_t3_1_2_1.F... Compiling ccsdtq_t3_1_2_2.F... Compiling ccsdtq_t3_1_2_2_1.F... Compiling OFFSET_ccsdtq_t3_1_2_2_1.F... Compiling ccsdtq_t3_1_2_2_2.F... Compiling ccsdtq_t3_1_2_3.F... Compiling ccsdtq_t3_1_3.F... Compiling ccsdtq_t3_1_3_1.F... Compiling OFFSET_ccsdtq_t3_1_3_1.F... Compiling ccsdtq_t3_1_3_2.F... Compiling ccsdtq_t3_1_4.F... Compiling ccsdtq_t3_1_4_1.F... Compiling OFFSET_ccsdtq_t3_1_4_1.F... Compiling ccsdtq_t3_1_4_2.F... Compiling ccsdtq_t3_1_5.F... Compiling ccsdtq_t3_1_5_1.F... Compiling OFFSET_ccsdtq_t3_1_5_1.F... Compiling ccsdtq_t3_1_5_2.F... Compiling ccsdtq_t3_1_6.F... Compiling ccsdtq_t3_1_7.F... Compiling ccsdtq_t3_2.F... Compiling ccsdtq_t3_2_1.F... Compiling OFFSET_ccsdtq_t3_2_1.F... Compiling ccsdtq_t3_2_2.F... Compiling ccsdtq_t3_2_3.F... Compiling ccsdtq_t3_2_3_1.F... Compiling OFFSET_ccsdtq_t3_2_3_1.F... Compiling ccsdtq_t3_2_3_2.F... Compiling ccsdtq_t3_2_4.F... Compiling ccsdtq_t3_2_5.F... Compiling ccsdtq_t3_3.F... Compiling ccsdtq_t3_3_1.F... Compiling OFFSET_ccsdtq_t3_3_1.F... Compiling ccsdtq_t3_3_2.F... Compiling ccsdtq_t3_3_2_1.F... Compiling OFFSET_ccsdtq_t3_3_2_1.F... Compiling ccsdtq_t3_3_2_2.F... Compiling ccsdtq_t3_3_3.F... Compiling ccsdtq_t3_3_4.F... Compiling ccsdtq_t3_4.F... Compiling ccsdtq_t3_4_1.F... Compiling OFFSET_ccsdtq_t3_4_1.F... Compiling ccsdtq_t3_4_2.F... Compiling ccsdtq_t3_4_3.F... Compiling ccsdtq_t3_5.F... Compiling ccsdtq_t3_5_1.F... Compiling OFFSET_ccsdtq_t3_5_1.F... Compiling ccsdtq_t3_5_2.F... Compiling ccsdtq_t3_5_2_1.F... Compiling OFFSET_ccsdtq_t3_5_2_1.F... Compiling ccsdtq_t3_5_2_2.F... Compiling ccsdtq_t3_5_3.F... Compiling ccsdtq_t3_6.F... Compiling ccsdtq_t3_6_1.F... Compiling OFFSET_ccsdtq_t3_6_1.F... Compiling ccsdtq_t3_6_2.F... Compiling ccsdtq_t3_6_3.F... Compiling ccsdtq_t3_7.F... Compiling ccsdtq_t3_8.F... Compiling ccsdtq_t3_8_1.F... Compiling OFFSET_ccsdtq_t3_8_1.F... Compiling ccsdtq_t3_8_2.F... Compiling ccsdtq_t3_9.F... Compiling ccsdtq_t3_9_1.F... Compiling OFFSET_ccsdtq_t3_9_1.F... Compiling ccsdtq_t3_9_2.F... Compiling ccsdtq_t3_10.F... Compiling ccsdtq_t3_11.F... Compiling ccsdtq_t3_11_1.F... Compiling OFFSET_ccsdtq_t3_11_1.F... Compiling ccsdtq_t3_11_1_1.F... Compiling OFFSET_ccsdtq_t3_11_1_1.F... Compiling ccsdtq_t3_11_1_2.F... Compiling ccsdtq_t3_11_1_2_1.F... Compiling OFFSET_ccsdtq_t3_11_1_2_1.F... Compiling ccsdtq_t3_11_1_2_2.F... Compiling ccsdtq_t3_11_1_3.F... Compiling ccsdtq_t3_11_1_4.F... Compiling ccsdtq_t3_11_2.F... Compiling ccsdtq_t3_11_2_1.F... Compiling OFFSET_ccsdtq_t3_11_2_1.F... Compiling ccsdtq_t3_11_2_2.F... Compiling ccsdtq_t3_11_3.F... Compiling ccsdtq_t3_11_3_1.F... Compiling OFFSET_ccsdtq_t3_11_3_1.F... Compiling ccsdtq_t3_11_3_2.F... Compiling ccsdtq_t3_11_4.F... Compiling ccsdtq_t3_11_5.F... Compiling ccsdtq_t3_11_6.F... Compiling ccsdtq_t3_11_6_1.F... Compiling OFFSET_ccsdtq_t3_11_6_1.F... Compiling ccsdtq_t3_12.F... Compiling ccsdtq_t3_12_1.F... Compiling OFFSET_ccsdtq_t3_12_1.F... Compiling ccsdtq_t4_1.F... Compiling ccsdtq_t4_1_1.F... Compiling OFFSET_ccsdtq_t4_1_1.F... Compiling ccsdtq_t4_1_2.F... Compiling ccsdtq_t4_1_2_1.F... Compiling OFFSET_ccsdtq_t4_1_2_1.F... Compiling ccsdtq_t4_1_2_2.F... Compiling ccsdtq_t4_1_2_2_1.F... Compiling OFFSET_ccsdtq_t4_1_2_2_1.F... Compiling ccsdtq_t4_1_2_2_2.F... Compiling ccsdtq_t4_1_2_3.F... Compiling ccsdtq_t4_1_3.F... Compiling ccsdtq_t4_1_3_1.F... Compiling OFFSET_ccsdtq_t4_1_3_1.F... Compiling ccsdtq_t4_1_3_2.F... Compiling ccsdtq_t4_1_4.F... Compiling ccsdtq_t4_1_4_1.F... Compiling OFFSET_ccsdtq_t4_1_4_1.F... Compiling ccsdtq_t4_1_4_2.F... Compiling ccsdtq_t4_1_5.F... Compiling ccsdtq_t4_1_5_1.F... Compiling OFFSET_ccsdtq_t4_1_5_1.F... Compiling ccsdtq_t4_1_5_2.F... Compiling ccsdtq_t4_1_6.F... Compiling ccsdtq_t4_1_7.F... Compiling ccsdtq_t4_2.F... Compiling ccsdtq_t4_2_1.F... Compiling OFFSET_ccsdtq_t4_2_1.F... Compiling ccsdtq_t4_2_2.F... Compiling ccsdtq_t4_2_3.F... Compiling ccsdtq_t4_2_3_1.F... Compiling OFFSET_ccsdtq_t4_2_3_1.F... Compiling ccsdtq_t4_2_3_2.F... Compiling ccsdtq_t4_2_4.F... Compiling ccsdtq_t4_2_5.F... Compiling ccsdtq_t4_3.F... Compiling ccsdtq_t4_3_1.F... Compiling OFFSET_ccsdtq_t4_3_1.F... Compiling ccsdtq_t4_3_2.F... Compiling ccsdtq_t4_3_2_1.F... Compiling OFFSET_ccsdtq_t4_3_2_1.F... Compiling ccsdtq_t4_3_2_2.F... Compiling ccsdtq_t4_3_3.F... Compiling ccsdtq_t4_3_4.F... Compiling ccsdtq_t4_4.F... Compiling ccsdtq_t4_4_1.F... Compiling OFFSET_ccsdtq_t4_4_1.F... Compiling ccsdtq_t4_4_2.F... Compiling ccsdtq_t4_4_3.F... Compiling ccsdtq_t4_5.F... Compiling ccsdtq_t4_5_1.F... Compiling OFFSET_ccsdtq_t4_5_1.F... Compiling ccsdtq_t4_5_2.F... Compiling ccsdtq_t4_5_2_1.F... Compiling OFFSET_ccsdtq_t4_5_2_1.F... Compiling ccsdtq_t4_5_2_2.F... Compiling ccsdtq_t4_5_3.F... Compiling ccsdtq_t4_6.F... Compiling ccsdtq_t4_6_1.F... Compiling OFFSET_ccsdtq_t4_6_1.F... Compiling ccsdtq_t4_6_2.F... Compiling ccsdtq_t4_6_3.F... Compiling ccsdtq_t4_7.F... Compiling ccsdtq_t4_8.F... Compiling ccsdtq_t4_8_1.F... Compiling OFFSET_ccsdtq_t4_8_1.F... Compiling ccsdtq_t4_8_1_1.F... Compiling OFFSET_ccsdtq_t4_8_1_1.F... Compiling ccsdtq_t4_8_1_2.F... Compiling ccsdtq_t4_8_1_2_1.F... Compiling OFFSET_ccsdtq_t4_8_1_2_1.F... Compiling ccsdtq_t4_8_1_2_2.F... Compiling ccsdtq_t4_8_1_3.F... Compiling ccsdtq_t4_8_1_4.F... Compiling ccsdtq_t4_8_2.F... Compiling ccsdtq_t4_8_2_1.F... Compiling OFFSET_ccsdtq_t4_8_2_1.F... Compiling ccsdtq_t4_8_2_2.F... Compiling ccsdtq_t4_8_3.F... Compiling ccsdtq_t4_8_3_1.F... Compiling OFFSET_ccsdtq_t4_8_3_1.F... Compiling ccsdtq_t4_8_3_2.F... Compiling ccsdtq_t4_8_4.F... Compiling ccsdtq_t4_8_5.F... Compiling ccsdtq_t4_8_5_1.F... Compiling OFFSET_ccsdtq_t4_8_5_1.F... Compiling ccsdtq_t4_8_6.F... Compiling ccsdtq_t4_8_6_1.F... Compiling OFFSET_ccsdtq_t4_8_6_1.F... Compiling ccsdtq_t4_8_6_1_1.F... Compiling OFFSET_ccsdtq_t4_8_6_1_1.F... Compiling ccsdtq_t4_8_6_1_2.F... Compiling ccsdtq_t4_8_6_2.F... Compiling ccsdtq_t4_9.F... Compiling ccsdtq_t4_9_1.F... Compiling OFFSET_ccsdtq_t4_9_1.F... Compiling ccsdtq_t4_9_1_1.F... Compiling OFFSET_ccsdtq_t4_9_1_1.F... Compiling ccsdtq_t4_9_1_2.F... Compiling ccsdtq_t4_9_1_2_1.F... Compiling OFFSET_ccsdtq_t4_9_1_2_1.F... Compiling ccsdtq_t4_9_1_2_2.F... Compiling ccsdtq_t4_9_1_3.F... Compiling ccsdtq_t4_9_2.F... Compiling ccsdtq_t4_9_2_1.F... Compiling OFFSET_ccsdtq_t4_9_2_1.F... Compiling ccsdtq_t4_9_2_2.F... Compiling ccsdtq_t4_9_2_2_1.F... Compiling OFFSET_ccsdtq_t4_9_2_2_1.F... Compiling ccsdtq_t4_9_2_2_2.F... Compiling ccsdtq_t4_9_2_3.F... Compiling ccsdtq_t4_9_2_4.F... Compiling ccsdtq_t4_9_3.F... Compiling ccsdtq_t4_9_3_1.F... Compiling OFFSET_ccsdtq_t4_9_3_1.F... Compiling ccsdtq_t4_9_3_2.F... Compiling ccsdtq_t4_9_4.F... Compiling ccsdtq_t4_9_4_1.F... Compiling OFFSET_ccsdtq_t4_9_4_1.F... Compiling ccsdtq_t4_9_4_2.F... Compiling ccsdtq_t4_9_5.F... Compiling ccsdtq_t4_9_5_1.F... Compiling OFFSET_ccsdtq_t4_9_5_1.F... Compiling ccsdtq_t4_9_5_2.F... Compiling ccsdtq_t4_9_6.F... Compiling ccsdtq_t4_10.F... Compiling ccsdtq_t4_10_1.F... Compiling OFFSET_ccsdtq_t4_10_1.F... Compiling ccsdtq_t4_10_1_1.F... Compiling OFFSET_ccsdtq_t4_10_1_1.F... Compiling ccsdtq_t4_10_1_2.F... Compiling ccsdtq_t4_10_2.F... Compiling ccsdtq_t4_10_2_1.F... Compiling OFFSET_ccsdtq_t4_10_2_1.F... Compiling ccsdtq_t4_10_2_2.F... Compiling ccsdtq_t4_10_3.F... Compiling ccsdtq_t4_10_4.F... Compiling ccsdtq_t4_11.F... Compiling ccsdtq_t4_11_1.F... Compiling OFFSET_ccsdtq_t4_11_1.F... Compiling ccsdtq_t4_12.F... Compiling ccsdtq_t4_12_1.F... Compiling OFFSET_ccsdtq_t4_12_1.F... Compiling ccsdtq_t4_13.F... Compiling ccsdtq_t4_13_1.F... Compiling OFFSET_ccsdtq_t4_13_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdtq_e.o ccsdtq_t1.o ccsdtq_t2.o ccsdtq_t3.o ccsdtq_t4.o ccsdtq_t3_1.o ccsdtq_t3_1_1.o OFFSET_ccsdtq_t3_1_1.o ccsdtq_t3_1_2.o ccsdtq_t3_1_2_1.o OFFSET_ccsdtq_t3_1_2_1.o ccsdtq_t3_1_2_2.o ccsdtq_t3_1_2_2_1.o OFFSET_ccsdtq_t3_1_2_2_1.o ccsdtq_t3_1_2_2_2.o ccsdtq_t3_1_2_3.o ccsdtq_t3_1_3.o ccsdtq_t3_1_3_1.o OFFSET_ccsdtq_t3_1_3_1.o ccsdtq_t3_1_3_2.o ccsdtq_t3_1_4.o ccsdtq_t3_1_4_1.o OFFSET_ccsdtq_t3_1_4_1.o ccsdtq_t3_1_4_2.o ccsdtq_t3_1_5.o ccsdtq_t3_1_5_1.o OFFSET_ccsdtq_t3_1_5_1.o ccsdtq_t3_1_5_2.o ccsdtq_t3_1_6.o ccsdtq_t3_1_7.o ccsdtq_t3_2.o ccsdtq_t3_2_1.o OFFSET_ccsdtq_t3_2_1.o ccsdtq_t3_2_2.o ccsdtq_t3_2_3.o ccsdtq_t3_2_3_1.o OFFSET_ccsdtq_t3_2_3_1.o ccsdtq_t3_2_3_2.o ccsdtq_t3_2_4.o ccsdtq_t3_2_5.o ccsdtq_t3_3.o ccsdtq_t3_3_1.o OFFSET_ccsdtq_t3_3_1.o ccsdtq_t3_3_2.o ccsdtq_t3_3_2_1.o OFFSET_ccsdtq_t3_3_2_1.o ccsdtq_t3_3_2_2.o ccsdtq_t3_3_3.o ccsdtq_t3_3_4.o ccsdtq_t3_4.o ccsdtq_t3_4_1.o OFFSET_ccsdtq_t3_4_1.o ccsdtq_t3_4_2.o ccsdtq_t3_4_3.o ccsdtq_t3_5.o ccsdtq_t3_5_1.o OFFSET_ccsdtq_t3_5_1.o ccsdtq_t3_5_2.o ccsdtq_t3_5_2_1.o OFFSET_ccsdtq_t3_5_2_1.o ccsdtq_t3_5_2_2.o ccsdtq_t3_5_3.o ccsdtq_t3_6.o ccsdtq_t3_6_1.o OFFSET_ccsdtq_t3_6_1.o ccsdtq_t3_6_2.o ccsdtq_t3_6_3.o ccsdtq_t3_7.o ccsdtq_t3_8.o ccsdtq_t3_8_1.o OFFSET_ccsdtq_t3_8_1.o ccsdtq_t3_8_2.o ccsdtq_t3_9.o ccsdtq_t3_9_1.o OFFSET_ccsdtq_t3_9_1.o ccsdtq_t3_9_2.o ccsdtq_t3_10.o ccsdtq_t3_11.o ccsdtq_t3_11_1.o OFFSET_ccsdtq_t3_11_1.o ccsdtq_t3_11_1_1.o OFFSET_ccsdtq_t3_11_1_1.o ccsdtq_t3_11_1_2.o ccsdtq_t3_11_1_2_1.o OFFSET_ccsdtq_t3_11_1_2_1.o ccsdtq_t3_11_1_2_2.o ccsdtq_t3_11_1_3.o ccsdtq_t3_11_1_4.o ccsdtq_t3_11_2.o ccsdtq_t3_11_2_1.o OFFSET_ccsdtq_t3_11_2_1.o ccsdtq_t3_11_2_2.o ccsdtq_t3_11_3.o ccsdtq_t3_11_3_1.o OFFSET_ccsdtq_t3_11_3_1.o ccsdtq_t3_11_3_2.o ccsdtq_t3_11_4.o ccsdtq_t3_11_5.o ccsdtq_t3_11_6.o ccsdtq_t3_11_6_1.o OFFSET_ccsdtq_t3_11_6_1.o ccsdtq_t3_12.o ccsdtq_t3_12_1.o OFFSET_ccsdtq_t3_12_1.o ccsdtq_t4_1.o ccsdtq_t4_1_1.o OFFSET_ccsdtq_t4_1_1.o ccsdtq_t4_1_2.o ccsdtq_t4_1_2_1.o OFFSET_ccsdtq_t4_1_2_1.o ccsdtq_t4_1_2_2.o ccsdtq_t4_1_2_2_1.o OFFSET_ccsdtq_t4_1_2_2_1.o ccsdtq_t4_1_2_2_2.o ccsdtq_t4_1_2_3.o ccsdtq_t4_1_3.o ccsdtq_t4_1_3_1.o OFFSET_ccsdtq_t4_1_3_1.o ccsdtq_t4_1_3_2.o ccsdtq_t4_1_4.o ccsdtq_t4_1_4_1.o OFFSET_ccsdtq_t4_1_4_1.o ccsdtq_t4_1_4_2.o ccsdtq_t4_1_5.o ccsdtq_t4_1_5_1.o OFFSET_ccsdtq_t4_1_5_1.o ccsdtq_t4_1_5_2.o ccsdtq_t4_1_6.o ccsdtq_t4_1_7.o ccsdtq_t4_2.o ccsdtq_t4_2_1.o OFFSET_ccsdtq_t4_2_1.o ccsdtq_t4_2_2.o ccsdtq_t4_2_3.o ccsdtq_t4_2_3_1.o OFFSET_ccsdtq_t4_2_3_1.o ccsdtq_t4_2_3_2.o ccsdtq_t4_2_4.o ccsdtq_t4_2_5.o ccsdtq_t4_3.o ccsdtq_t4_3_1.o OFFSET_ccsdtq_t4_3_1.o ccsdtq_t4_3_2.o ccsdtq_t4_3_2_1.o OFFSET_ccsdtq_t4_3_2_1.o ccsdtq_t4_3_2_2.o ccsdtq_t4_3_3.o ccsdtq_t4_3_4.o ccsdtq_t4_4.o ccsdtq_t4_4_1.o OFFSET_ccsdtq_t4_4_1.o ccsdtq_t4_4_2.o ccsdtq_t4_4_3.o ccsdtq_t4_5.o ccsdtq_t4_5_1.o OFFSET_ccsdtq_t4_5_1.o ccsdtq_t4_5_2.o ccsdtq_t4_5_2_1.o OFFSET_ccsdtq_t4_5_2_1.o ccsdtq_t4_5_2_2.o ccsdtq_t4_5_3.o ccsdtq_t4_6.o ccsdtq_t4_6_1.o OFFSET_ccsdtq_t4_6_1.o ccsdtq_t4_6_2.o ccsdtq_t4_6_3.o ccsdtq_t4_7.o ccsdtq_t4_8.o ccsdtq_t4_8_1.o OFFSET_ccsdtq_t4_8_1.o ccsdtq_t4_8_1_1.o OFFSET_ccsdtq_t4_8_1_1.o ccsdtq_t4_8_1_2.o ccsdtq_t4_8_1_2_1.o OFFSET_ccsdtq_t4_8_1_2_1.o ccsdtq_t4_8_1_2_2.o ccsdtq_t4_8_1_3.o ccsdtq_t4_8_1_4.o ccsdtq_t4_8_2.o ccsdtq_t4_8_2_1.o OFFSET_ccsdtq_t4_8_2_1.o ccsdtq_t4_8_2_2.o ccsdtq_t4_8_3.o ccsdtq_t4_8_3_1.o OFFSET_ccsdtq_t4_8_3_1.o ccsdtq_t4_8_3_2.o ccsdtq_t4_8_4.o ccsdtq_t4_8_5.o ccsdtq_t4_8_5_1.o OFFSET_ccsdtq_t4_8_5_1.o ccsdtq_t4_8_6.o ccsdtq_t4_8_6_1.o OFFSET_ccsdtq_t4_8_6_1.o ccsdtq_t4_8_6_1_1.o OFFSET_ccsdtq_t4_8_6_1_1.o ccsdtq_t4_8_6_1_2.o ccsdtq_t4_8_6_2.o ccsdtq_t4_9.o ccsdtq_t4_9_1.o OFFSET_ccsdtq_t4_9_1.o ccsdtq_t4_9_1_1.o OFFSET_ccsdtq_t4_9_1_1.o ccsdtq_t4_9_1_2.o ccsdtq_t4_9_1_2_1.o OFFSET_ccsdtq_t4_9_1_2_1.o ccsdtq_t4_9_1_2_2.o ccsdtq_t4_9_1_3.o ccsdtq_t4_9_2.o ccsdtq_t4_9_2_1.o OFFSET_ccsdtq_t4_9_2_1.o ccsdtq_t4_9_2_2.o ccsdtq_t4_9_2_2_1.o OFFSET_ccsdtq_t4_9_2_2_1.o ccsdtq_t4_9_2_2_2.o ccsdtq_t4_9_2_3.o ccsdtq_t4_9_2_4.o ccsdtq_t4_9_3.o ccsdtq_t4_9_3_1.o OFFSET_ccsdtq_t4_9_3_1.o ccsdtq_t4_9_3_2.o ccsdtq_t4_9_4.o ccsdtq_t4_9_4_1.o OFFSET_ccsdtq_t4_9_4_1.o ccsdtq_t4_9_4_2.o ccsdtq_t4_9_5.o ccsdtq_t4_9_5_1.o OFFSET_ccsdtq_t4_9_5_1.o ccsdtq_t4_9_5_2.o ccsdtq_t4_9_6.o ccsdtq_t4_10.o ccsdtq_t4_10_1.o OFFSET_ccsdtq_t4_10_1.o ccsdtq_t4_10_1_1.o OFFSET_ccsdtq_t4_10_1_1.o ccsdtq_t4_10_1_2.o ccsdtq_t4_10_2.o ccsdtq_t4_10_2_1.o OFFSET_ccsdtq_t4_10_2_1.o ccsdtq_t4_10_2_2.o ccsdtq_t4_10_3.o ccsdtq_t4_10_4.o ccsdtq_t4_11.o ccsdtq_t4_11_1.o OFFSET_ccsdtq_t4_11_1.o ccsdtq_t4_12.o ccsdtq_t4_12_1.o OFFSET_ccsdtq_t4_12_1.o ccsdtq_t4_13.o ccsdtq_t4_13_1.o OFFSET_ccsdtq_t4_13_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdtq_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdtq_lambda1.F... Compiling ccsdtq_lambda2.F... Compiling ccsdtq_lambda3.F... Compiling ccsdtq_lambda4.F... Compiling ccsdtq_density1.F... Compiling ccsdtq_lambda1_1.F... Compiling ccsdtq_lambda1_2.F... Compiling ccsdtq_lambda1_2_1.F... Compiling OFFSET_ccsdtq_lambda1_2_1.F... Compiling ccsdtq_lambda1_2_2.F... Compiling ccsdtq_lambda1_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_2_2_1.F... Compiling ccsdtq_lambda1_2_2_2.F... Compiling ccsdtq_lambda1_2_3.F... Compiling ccsdtq_lambda1_2_4.F... Compiling ccsdtq_lambda1_3.F... Compiling ccsdtq_lambda1_3_1.F... Compiling OFFSET_ccsdtq_lambda1_3_1.F... Compiling ccsdtq_lambda1_3_2.F... Compiling ccsdtq_lambda1_3_3.F... Compiling ccsdtq_lambda1_3_3_1.F... Compiling OFFSET_ccsdtq_lambda1_3_3_1.F... Compiling ccsdtq_lambda1_4.F... Compiling ccsdtq_lambda1_5.F... Compiling ccsdtq_lambda1_5_1.F... Compiling OFFSET_ccsdtq_lambda1_5_1.F... Compiling ccsdtq_lambda1_5_2.F... Compiling ccsdtq_lambda1_5_2_1.F... Compiling OFFSET_ccsdtq_lambda1_5_2_1.F... Compiling ccsdtq_lambda1_5_2_2.F... Compiling ccsdtq_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_5_2_2_1.F... Compiling ccsdtq_lambda1_5_2_2_2.F... Compiling ccsdtq_lambda1_5_2_3.F... Compiling ccsdtq_lambda1_5_2_4.F... Compiling ccsdtq_lambda1_5_3.F... Compiling ccsdtq_lambda1_5_3_1.F... Compiling OFFSET_ccsdtq_lambda1_5_3_1.F... Compiling ccsdtq_lambda1_5_3_2.F... Compiling ccsdtq_lambda1_5_4.F... Compiling ccsdtq_lambda1_5_5.F... Compiling ccsdtq_lambda1_5_5_1.F... Compiling OFFSET_ccsdtq_lambda1_5_5_1.F... Compiling ccsdtq_lambda1_5_5_2.F... Compiling ccsdtq_lambda1_5_6.F... Compiling ccsdtq_lambda1_5_6_1.F... Compiling OFFSET_ccsdtq_lambda1_5_6_1.F... Compiling ccsdtq_lambda1_5_6_2.F... Compiling ccsdtq_lambda1_5_7.F... Compiling ccsdtq_lambda1_5_8.F... Compiling ccsdtq_lambda1_6.F... Compiling ccsdtq_lambda1_6_1.F... Compiling OFFSET_ccsdtq_lambda1_6_1.F... Compiling ccsdtq_lambda1_6_2.F... Compiling ccsdtq_lambda1_6_2_1.F... Compiling OFFSET_ccsdtq_lambda1_6_2_1.F... Compiling ccsdtq_lambda1_6_2_2.F... Compiling ccsdtq_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_6_2_2_1.F... Compiling ccsdtq_lambda1_6_2_2_2.F... Compiling ccsdtq_lambda1_6_2_3.F... Compiling ccsdtq_lambda1_6_3.F... Compiling ccsdtq_lambda1_6_3_1.F... Compiling OFFSET_ccsdtq_lambda1_6_3_1.F... Compiling ccsdtq_lambda1_6_3_2.F... Compiling ccsdtq_lambda1_6_4.F... Compiling ccsdtq_lambda1_6_4_1.F... Compiling OFFSET_ccsdtq_lambda1_6_4_1.F... Compiling ccsdtq_lambda1_6_4_2.F... Compiling ccsdtq_lambda1_6_5.F... Compiling ccsdtq_lambda1_6_5_1.F... Compiling OFFSET_ccsdtq_lambda1_6_5_1.F... Compiling ccsdtq_lambda1_6_5_2.F... Compiling ccsdtq_lambda1_6_6.F... Compiling ccsdtq_lambda1_6_7.F... Compiling ccsdtq_lambda1_7.F... Compiling ccsdtq_lambda1_7_1.F... Compiling OFFSET_ccsdtq_lambda1_7_1.F... Compiling ccsdtq_lambda1_7_2.F... Compiling ccsdtq_lambda1_8.F... Compiling ccsdtq_lambda1_8_1.F... Compiling OFFSET_ccsdtq_lambda1_8_1.F... Compiling ccsdtq_lambda1_8_2.F... Compiling ccsdtq_lambda1_8_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_1.F... Compiling ccsdtq_lambda1_8_2_2.F... Compiling ccsdtq_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_2_1.F... Compiling ccsdtq_lambda1_8_2_2_2.F... Compiling ccsdtq_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_2_2_1.F... Compiling ccsdtq_lambda1_8_2_2_2_2.F... Compiling ccsdtq_lambda1_8_2_2_3.F... Compiling ccsdtq_lambda1_8_2_3.F... Compiling ccsdtq_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_3_1.F... Compiling ccsdtq_lambda1_8_2_3_2.F... Compiling ccsdtq_lambda1_8_2_4.F... Compiling ccsdtq_lambda1_8_2_5.F... Compiling ccsdtq_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_5_1.F... Compiling ccsdtq_lambda1_8_3.F... Compiling ccsdtq_lambda1_8_3_1.F... Compiling OFFSET_ccsdtq_lambda1_8_3_1.F... Compiling ccsdtq_lambda1_8_3_2.F... Compiling ccsdtq_lambda1_8_4.F... Compiling ccsdtq_lambda1_8_4_1.F... Compiling OFFSET_ccsdtq_lambda1_8_4_1.F... Compiling ccsdtq_lambda1_8_4_2.F... Compiling ccsdtq_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_4_2_1.F... Compiling ccsdtq_lambda1_8_5.F... Compiling ccsdtq_lambda1_8_5_1.F... Compiling OFFSET_ccsdtq_lambda1_8_5_1.F... Compiling ccsdtq_lambda1_8_5_2.F... Compiling ccsdtq_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_5_2_1.F... Compiling ccsdtq_lambda1_8_6.F... Compiling ccsdtq_lambda1_8_6_1.F... Compiling OFFSET_ccsdtq_lambda1_8_6_1.F... Compiling ccsdtq_lambda1_8_6_2.F... Compiling ccsdtq_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_6_2_1.F... Compiling ccsdtq_lambda1_8_6_2_2.F... Compiling ccsdtq_lambda1_8_6_3.F... Compiling ccsdtq_lambda1_8_7.F... Compiling ccsdtq_lambda1_8_7_1.F... Compiling OFFSET_ccsdtq_lambda1_8_7_1.F... Compiling ccsdtq_lambda1_8_7_2.F... Compiling ccsdtq_lambda1_8_7_3.F... Compiling ccsdtq_lambda1_8_8.F... Compiling ccsdtq_lambda1_8_9.F... Compiling ccsdtq_lambda1_8_9_1.F... Compiling OFFSET_ccsdtq_lambda1_8_9_1.F... 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Compiling OFFSET_ccsdtq_lambda3_27_2_1_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdtq_lambda1.o ccsdtq_lambda2.o ccsdtq_lambda3.o ccsdtq_lambda4.o ccsdtq_density1.o ccsdtq_lambda1_1.o ccsdtq_lambda1_2.o ccsdtq_lambda1_2_1.o OFFSET_ccsdtq_lambda1_2_1.o ccsdtq_lambda1_2_2.o ccsdtq_lambda1_2_2_1.o OFFSET_ccsdtq_lambda1_2_2_1.o ccsdtq_lambda1_2_2_2.o ccsdtq_lambda1_2_3.o ccsdtq_lambda1_2_4.o ccsdtq_lambda1_3.o ccsdtq_lambda1_3_1.o OFFSET_ccsdtq_lambda1_3_1.o ccsdtq_lambda1_3_2.o ccsdtq_lambda1_3_3.o ccsdtq_lambda1_3_3_1.o OFFSET_ccsdtq_lambda1_3_3_1.o ccsdtq_lambda1_4.o ccsdtq_lambda1_5.o ccsdtq_lambda1_5_1.o OFFSET_ccsdtq_lambda1_5_1.o ccsdtq_lambda1_5_2.o ccsdtq_lambda1_5_2_1.o OFFSET_ccsdtq_lambda1_5_2_1.o ccsdtq_lambda1_5_2_2.o ccsdtq_lambda1_5_2_2_1.o OFFSET_ccsdtq_lambda1_5_2_2_1.o ccsdtq_lambda1_5_2_2_2.o ccsdtq_lambda1_5_2_3.o ccsdtq_lambda1_5_2_4.o ccsdtq_lambda1_5_3.o ccsdtq_lambda1_5_3_1.o OFFSET_ccsdtq_lambda1_5_3_1.o ccsdtq_lambda1_5_3_2.o ccsdtq_lambda1_5_4.o ccsdtq_lambda1_5_5.o ccsdtq_lambda1_5_5_1.o OFFSET_ccsdtq_lambda1_5_5_1.o ccsdtq_lambda1_5_5_2.o ccsdtq_lambda1_5_6.o ccsdtq_lambda1_5_6_1.o OFFSET_ccsdtq_lambda1_5_6_1.o ccsdtq_lambda1_5_6_2.o ccsdtq_lambda1_5_7.o ccsdtq_lambda1_5_8.o ccsdtq_lambda1_6.o ccsdtq_lambda1_6_1.o OFFSET_ccsdtq_lambda1_6_1.o ccsdtq_lambda1_6_2.o ccsdtq_lambda1_6_2_1.o OFFSET_ccsdtq_lambda1_6_2_1.o ccsdtq_lambda1_6_2_2.o ccsdtq_lambda1_6_2_2_1.o OFFSET_ccsdtq_lambda1_6_2_2_1.o ccsdtq_lambda1_6_2_2_2.o ccsdtq_lambda1_6_2_3.o ccsdtq_lambda1_6_3.o ccsdtq_lambda1_6_3_1.o OFFSET_ccsdtq_lambda1_6_3_1.o ccsdtq_lambda1_6_3_2.o ccsdtq_lambda1_6_4.o ccsdtq_lambda1_6_4_1.o OFFSET_ccsdtq_lambda1_6_4_1.o ccsdtq_lambda1_6_4_2.o ccsdtq_lambda1_6_5.o ccsdtq_lambda1_6_5_1.o OFFSET_ccsdtq_lambda1_6_5_1.o ccsdtq_lambda1_6_5_2.o ccsdtq_lambda1_6_6.o ccsdtq_lambda1_6_7.o ccsdtq_lambda1_7.o ccsdtq_lambda1_7_1.o OFFSET_ccsdtq_lambda1_7_1.o ccsdtq_lambda1_7_2.o ccsdtq_lambda1_8.o ccsdtq_lambda1_8_1.o OFFSET_ccsdtq_lambda1_8_1.o ccsdtq_lambda1_8_2.o ccsdtq_lambda1_8_2_1.o OFFSET_ccsdtq_lambda1_8_2_1.o ccsdtq_lambda1_8_2_2.o ccsdtq_lambda1_8_2_2_1.o OFFSET_ccsdtq_lambda1_8_2_2_1.o ccsdtq_lambda1_8_2_2_2.o ccsdtq_lambda1_8_2_2_2_1.o OFFSET_ccsdtq_lambda1_8_2_2_2_1.o ccsdtq_lambda1_8_2_2_2_2.o ccsdtq_lambda1_8_2_2_3.o ccsdtq_lambda1_8_2_3.o ccsdtq_lambda1_8_2_3_1.o OFFSET_ccsdtq_lambda1_8_2_3_1.o ccsdtq_lambda1_8_2_3_2.o ccsdtq_lambda1_8_2_4.o ccsdtq_lambda1_8_2_5.o ccsdtq_lambda1_8_2_5_1.o OFFSET_ccsdtq_lambda1_8_2_5_1.o ccsdtq_lambda1_8_3.o ccsdtq_lambda1_8_3_1.o OFFSET_ccsdtq_lambda1_8_3_1.o ccsdtq_lambda1_8_3_2.o ccsdtq_lambda1_8_4.o ccsdtq_lambda1_8_4_1.o OFFSET_ccsdtq_lambda1_8_4_1.o ccsdtq_lambda1_8_4_2.o ccsdtq_lambda1_8_4_2_1.o OFFSET_ccsdtq_lambda1_8_4_2_1.o ccsdtq_lambda1_8_5.o ccsdtq_lambda1_8_5_1.o OFFSET_ccsdtq_lambda1_8_5_1.o ccsdtq_lambda1_8_5_2.o ccsdtq_lambda1_8_5_2_1.o OFFSET_ccsdtq_lambda1_8_5_2_1.o ccsdtq_lambda1_8_6.o ccsdtq_lambda1_8_6_1.o OFFSET_ccsdtq_lambda1_8_6_1.o ccsdtq_lambda1_8_6_2.o ccsdtq_lambda1_8_6_2_1.o OFFSET_ccsdtq_lambda1_8_6_2_1.o ccsdtq_lambda1_8_6_2_2.o ccsdtq_lambda1_8_6_3.o ccsdtq_lambda1_8_7.o ccsdtq_lambda1_8_7_1.o OFFSET_ccsdtq_lambda1_8_7_1.o ccsdtq_lambda1_8_7_2.o ccsdtq_lambda1_8_7_3.o ccsdtq_lambda1_8_8.o ccsdtq_lambda1_8_9.o ccsdtq_lambda1_8_9_1.o OFFSET_ccsdtq_lambda1_8_9_1.o ccsdtq_lambda1_8_9_2.o ccsdtq_lambda1_8_10.o ccsdtq_lambda1_8_10_1.o OFFSET_ccsdtq_lambda1_8_10_1.o ccsdtq_lambda1_8_10_2.o ccsdtq_lambda1_8_11.o ccsdtq_lambda1_8_12.o ccsdtq_lambda1_8_13.o ccsdtq_lambda1_8_13_1.o OFFSET_ccsdtq_lambda1_8_13_1.o ccsdtq_lambda1_8_13_2.o ccsdtq_lambda1_8_13_3.o ccsdtq_lambda1_8_14.o ccsdtq_lambda1_8_14_1.o OFFSET_ccsdtq_lambda1_8_14_1.o ccsdtq_lambda1_8_14_2.o ccsdtq_lambda1_8_14_3.o ccsdtq_lambda1_8_15.o ccsdtq_lambda1_8_15_1.o OFFSET_ccsdtq_lambda1_8_15_1.o ccsdtq_lambda1_8_15_2.o ccsdtq_lambda1_9.o ccsdtq_lambda1_9_1.o OFFSET_ccsdtq_lambda1_9_1.o ccsdtq_lambda1_9_2.o ccsdtq_lambda1_9_3.o ccsdtq_lambda1_9_4.o ccsdtq_lambda1_9_5.o ccsdtq_lambda1_9_5_1.o OFFSET_ccsdtq_lambda1_9_5_1.o ccsdtq_lambda1_9_5_2.o ccsdtq_lambda1_9_5_3.o ccsdtq_lambda1_9_5_4.o ccsdtq_lambda1_9_6.o ccsdtq_lambda1_9_6_1.o OFFSET_ccsdtq_lambda1_9_6_1.o ccsdtq_lambda1_9_6_2.o ccsdtq_lambda1_9_6_2_1.o OFFSET_ccsdtq_lambda1_9_6_2_1.o ccsdtq_lambda1_9_6_2_2.o ccsdtq_lambda1_9_6_3.o ccsdtq_lambda1_9_7.o ccsdtq_lambda1_9_7_1.o OFFSET_ccsdtq_lambda1_9_7_1.o ccsdtq_lambda1_9_7_2.o ccsdtq_lambda1_9_8.o ccsdtq_lambda1_9_8_1.o OFFSET_ccsdtq_lambda1_9_8_1.o ccsdtq_lambda1_10.o ccsdtq_lambda1_10_1.o OFFSET_ccsdtq_lambda1_10_1.o ccsdtq_lambda1_10_2.o ccsdtq_lambda1_10_3.o ccsdtq_lambda1_10_4.o ccsdtq_lambda1_11.o ccsdtq_lambda1_11_1.o OFFSET_ccsdtq_lambda1_11_1.o ccsdtq_lambda1_11_2.o ccsdtq_lambda1_11_3.o ccsdtq_lambda1_11_4.o ccsdtq_lambda1_12.o ccsdtq_lambda1_12_1.o OFFSET_ccsdtq_lambda1_12_1.o ccsdtq_lambda1_12_2.o ccsdtq_lambda1_12_3.o ccsdtq_lambda1_12_4.o ccsdtq_lambda1_13.o ccsdtq_lambda1_13_1.o OFFSET_ccsdtq_lambda1_13_1.o ccsdtq_lambda1_13_2.o ccsdtq_lambda1_13_3.o ccsdtq_lambda1_14.o ccsdtq_lambda1_14_1.o OFFSET_ccsdtq_lambda1_14_1.o ccsdtq_lambda1_14_2.o ccsdtq_lambda1_14_3.o ccsdtq_lambda1_14_4.o ccsdtq_lambda1_14_4_1.o OFFSET_ccsdtq_lambda1_14_4_1.o ccsdtq_lambda1_14_4_2.o ccsdtq_lambda1_14_4_3.o ccsdtq_lambda1_14_4_4.o ccsdtq_lambda1_14_4_4_1.o OFFSET_ccsdtq_lambda1_14_4_4_1.o ccsdtq_lambda1_14_4_4_2.o ccsdtq_lambda1_14_4_4_3.o ccsdtq_lambda1_14_4_5.o ccsdtq_lambda1_14_4_5_1.o OFFSET_ccsdtq_lambda1_14_4_5_1.o ccsdtq_lambda1_14_4_5_1_1.o OFFSET_ccsdtq_lambda1_14_4_5_1_1.o ccsdtq_lambda1_14_4_5_1_2.o ccsdtq_lambda1_14_4_5_1_3.o ccsdtq_lambda1_14_5.o ccsdtq_lambda1_14_5_1.o OFFSET_ccsdtq_lambda1_14_5_1.o ccsdtq_lambda1_14_6.o ccsdtq_lambda1_14_6_1.o OFFSET_ccsdtq_lambda1_14_6_1.o ccsdtq_lambda1_14_6_2.o ccsdtq_lambda1_14_6_3.o ccsdtq_lambda1_14_7.o ccsdtq_lambda1_14_7_1.o OFFSET_ccsdtq_lambda1_14_7_1.o ccsdtq_lambda1_14_7_2.o ccsdtq_lambda1_14_8.o ccsdtq_lambda1_14_8_1.o OFFSET_ccsdtq_lambda1_14_8_1.o ccsdtq_lambda1_14_9.o ccsdtq_lambda1_14_9_1.o OFFSET_ccsdtq_lambda1_14_9_1.o ccsdtq_lambda1_14_9_2.o ccsdtq_lambda1_14_10.o ccsdtq_lambda1_14_10_1.o OFFSET_ccsdtq_lambda1_14_10_1.o ccsdtq_lambda1_14_10_1_1.o OFFSET_ccsdtq_lambda1_14_10_1_1.o ccsdtq_lambda1_14_10_1_2.o ccsdtq_lambda1_14_10_2.o ccsdtq_lambda1_14_11.o ccsdtq_lambda1_14_11_1.o OFFSET_ccsdtq_lambda1_14_11_1.o ccsdtq_lambda1_14_12.o ccsdtq_lambda1_14_12_1.o OFFSET_ccsdtq_lambda1_14_12_1.o ccsdtq_lambda1_14_12_1_1.o OFFSET_ccsdtq_lambda1_14_12_1_1.o ccsdtq_lambda1_14_12_2.o ccsdtq_lambda1_14_12_2_1.o OFFSET_ccsdtq_lambda1_14_12_2_1.o ccsdtq_lambda1_14_13.o ccsdtq_lambda1_14_13_1.o OFFSET_ccsdtq_lambda1_14_13_1.o ccsdtq_lambda1_14_13_1_1.o OFFSET_ccsdtq_lambda1_14_13_1_1.o ccsdtq_lambda1_14_13_1_1_1.o OFFSET_ccsdtq_lambda1_14_13_1_1_1.o ccsdtq_lambda1_14_13_1_1_2.o ccsdtq_lambda1_15.o ccsdtq_lambda1_15_1.o OFFSET_ccsdtq_lambda1_15_1.o ccsdtq_lambda1_15_2.o ccsdtq_lambda1_15_3.o ccsdtq_lambda1_15_4.o ccsdtq_lambda1_15_4_1.o OFFSET_ccsdtq_lambda1_15_4_1.o ccsdtq_lambda1_15_5.o ccsdtq_lambda1_15_5_1.o OFFSET_ccsdtq_lambda1_15_5_1.o ccsdtq_lambda1_15_5_2.o ccsdtq_lambda1_15_6.o ccsdtq_lambda1_15_6_1.o OFFSET_ccsdtq_lambda1_15_6_1.o ccsdtq_lambda1_15_6_1_1.o OFFSET_ccsdtq_lambda1_15_6_1_1.o ccsdtq_lambda1_15_6_1_2.o ccsdtq_lambda1_15_6_1_3.o ccsdtq_lambda1_16.o ccsdtq_lambda1_16_1.o OFFSET_ccsdtq_lambda1_16_1.o ccsdtq_lambda1_16_2.o ccsdtq_lambda1_16_3.o ccsdtq_lambda1_16_4.o ccsdtq_lambda1_16_4_1.o OFFSET_ccsdtq_lambda1_16_4_1.o ccsdtq_lambda1_16_4_2.o ccsdtq_lambda1_16_4_3.o ccsdtq_lambda1_16_5.o ccsdtq_lambda1_16_5_1.o OFFSET_ccsdtq_lambda1_16_5_1.o ccsdtq_lambda1_16_5_2.o ccsdtq_lambda1_16_5_2_1.o OFFSET_ccsdtq_lambda1_16_5_2_1.o ccsdtq_lambda1_16_5_2_2.o ccsdtq_lambda1_16_6.o ccsdtq_lambda1_16_6_1.o OFFSET_ccsdtq_lambda1_16_6_1.o ccsdtq_lambda1_17.o ccsdtq_lambda1_17_1.o OFFSET_ccsdtq_lambda1_17_1.o ccsdtq_lambda1_17_2.o ccsdtq_lambda1_18.o ccsdtq_lambda1_18_1.o OFFSET_ccsdtq_lambda1_18_1.o ccsdtq_lambda1_18_1_1.o OFFSET_ccsdtq_lambda1_18_1_1.o ccsdtq_lambda1_18_1_2.o ccsdtq_lambda1_18_1_3.o ccsdtq_lambda1_18_1_4.o ccsdtq_lambda1_18_1_4_1.o OFFSET_ccsdtq_lambda1_18_1_4_1.o ccsdtq_lambda1_18_1_4_2.o ccsdtq_lambda1_18_2.o ccsdtq_lambda1_18_2_1.o OFFSET_ccsdtq_lambda1_18_2_1.o ccsdtq_lambda1_18_2_2.o ccsdtq_lambda1_18_3.o ccsdtq_lambda1_18_3_1.o OFFSET_ccsdtq_lambda1_18_3_1.o ccsdtq_lambda1_18_3_2.o ccsdtq_lambda1_18_4.o ccsdtq_lambda1_18_5.o ccsdtq_lambda1_18_6.o ccsdtq_lambda1_18_6_1.o OFFSET_ccsdtq_lambda1_18_6_1.o ccsdtq_lambda1_18_7.o ccsdtq_lambda1_18_7_1.o OFFSET_ccsdtq_lambda1_18_7_1.o ccsdtq_lambda1_18_7_1_1.o OFFSET_ccsdtq_lambda1_18_7_1_1.o ccsdtq_lambda1_19.o ccsdtq_lambda1_19_1.o OFFSET_ccsdtq_lambda1_19_1.o ccsdtq_lambda1_19_2.o ccsdtq_lambda1_20.o ccsdtq_lambda1_20_1.o OFFSET_ccsdtq_lambda1_20_1.o ccsdtq_lambda1_20_1_1.o OFFSET_ccsdtq_lambda1_20_1_1.o ccsdtq_lambda1_20_1_2.o ccsdtq_lambda1_20_1_2_1.o OFFSET_ccsdtq_lambda1_20_1_2_1.o ccsdtq_lambda1_20_1_2_2.o ccsdtq_lambda1_20_1_2_2_1.o OFFSET_ccsdtq_lambda1_20_1_2_2_1.o ccsdtq_lambda1_20_1_2_2_2.o ccsdtq_lambda1_20_1_3.o ccsdtq_lambda1_20_1_4.o ccsdtq_lambda1_20_1_4_1.o OFFSET_ccsdtq_lambda1_20_1_4_1.o ccsdtq_lambda1_20_1_4_2.o ccsdtq_lambda1_20_1_4_3.o ccsdtq_lambda1_20_1_4_3_1.o OFFSET_ccsdtq_lambda1_20_1_4_3_1.o ccsdtq_lambda1_20_1_4_3_2.o ccsdtq_lambda1_20_1_5.o ccsdtq_lambda1_20_1_5_1.o OFFSET_ccsdtq_lambda1_20_1_5_1.o ccsdtq_lambda1_20_1_5_2.o ccsdtq_lambda1_20_2.o ccsdtq_lambda1_20_2_1.o OFFSET_ccsdtq_lambda1_20_2_1.o ccsdtq_lambda1_20_2_2.o ccsdtq_lambda1_20_2_3.o ccsdtq_lambda1_20_2_4.o ccsdtq_lambda1_20_2_4_1.o OFFSET_ccsdtq_lambda1_20_2_4_1.o ccsdtq_lambda1_20_2_4_2.o ccsdtq_lambda1_20_2_5.o ccsdtq_lambda1_20_2_5_1.o OFFSET_ccsdtq_lambda1_20_2_5_1.o ccsdtq_lambda1_20_2_5_2.o ccsdtq_lambda1_20_2_6.o ccsdtq_lambda1_20_2_6_1.o OFFSET_ccsdtq_lambda1_20_2_6_1.o ccsdtq_lambda1_20_2_6_1_1.o OFFSET_ccsdtq_lambda1_20_2_6_1_1.o ccsdtq_lambda1_20_2_6_1_2.o ccsdtq_lambda1_20_3.o ccsdtq_lambda1_20_3_1.o OFFSET_ccsdtq_lambda1_20_3_1.o ccsdtq_lambda1_20_3_2.o ccsdtq_lambda1_20_3_2_1.o OFFSET_ccsdtq_lambda1_20_3_2_1.o ccsdtq_lambda1_20_4.o ccsdtq_lambda1_20_4_1.o OFFSET_ccsdtq_lambda1_20_4_1.o ccsdtq_lambda1_20_4_2.o ccsdtq_lambda1_20_4_2_1.o OFFSET_ccsdtq_lambda1_20_4_2_1.o ccsdtq_lambda1_20_5.o ccsdtq_lambda1_20_5_1.o OFFSET_ccsdtq_lambda1_20_5_1.o ccsdtq_lambda1_20_5_2.o ccsdtq_lambda1_20_5_3.o ccsdtq_lambda1_20_6.o ccsdtq_lambda1_20_6_1.o OFFSET_ccsdtq_lambda1_20_6_1.o ccsdtq_lambda1_20_6_2.o ccsdtq_lambda1_20_6_3.o ccsdtq_lambda1_20_6_4.o ccsdtq_lambda1_20_7.o ccsdtq_lambda1_20_8.o ccsdtq_lambda1_20_8_1.o OFFSET_ccsdtq_lambda1_20_8_1.o ccsdtq_lambda1_20_8_2.o ccsdtq_lambda1_20_9.o ccsdtq_lambda1_20_9_1.o OFFSET_ccsdtq_lambda1_20_9_1.o ccsdtq_lambda1_20_9_2.o ccsdtq_lambda1_20_10.o ccsdtq_lambda1_20_11.o ccsdtq_lambda1_20_11_1.o OFFSET_ccsdtq_lambda1_20_11_1.o ccsdtq_lambda1_20_11_2.o ccsdtq_lambda1_20_11_3.o ccsdtq_lambda1_20_12.o ccsdtq_lambda1_20_12_1.o OFFSET_ccsdtq_lambda1_20_12_1.o ccsdtq_lambda1_20_12_2.o ccsdtq_lambda1_20_12_3.o ccsdtq_lambda1_20_13.o ccsdtq_lambda1_20_13_1.o OFFSET_ccsdtq_lambda1_20_13_1.o ccsdtq_lambda1_20_14.o ccsdtq_lambda1_20_14_1.o OFFSET_ccsdtq_lambda1_20_14_1.o ccsdtq_lambda1_20_15.o ccsdtq_lambda1_20_15_1.o OFFSET_ccsdtq_lambda1_20_15_1.o ccsdtq_lambda1_20_15_1_1.o OFFSET_ccsdtq_lambda1_20_15_1_1.o ccsdtq_lambda1_20_15_1_2.o ccsdtq_lambda1_20_15_1_3.o ccsdtq_lambda1_20_15_1_3_1.o OFFSET_ccsdtq_lambda1_20_15_1_3_1.o ccsdtq_lambda1_20_15_1_3_2.o ccsdtq_lambda1_20_15_2.o ccsdtq_lambda1_20_15_3.o ccsdtq_lambda1_20_15_3_1.o OFFSET_ccsdtq_lambda1_20_15_3_1.o ccsdtq_lambda1_20_15_3_1_1.o OFFSET_ccsdtq_lambda1_20_15_3_1_1.o ccsdtq_lambda1_20_16.o ccsdtq_lambda1_20_16_1.o OFFSET_ccsdtq_lambda1_20_16_1.o ccsdtq_lambda1_20_16_2.o ccsdtq_lambda1_20_16_2_1.o OFFSET_ccsdtq_lambda1_20_16_2_1.o ccsdtq_lambda1_20_16_2_1_1.o OFFSET_ccsdtq_lambda1_20_16_2_1_1.o ccsdtq_lambda1_20_17.o ccsdtq_lambda1_20_17_1.o OFFSET_ccsdtq_lambda1_20_17_1.o ccsdtq_lambda1_20_18.o ccsdtq_lambda1_20_18_1.o OFFSET_ccsdtq_lambda1_20_18_1.o ccsdtq_lambda1_20_18_1_1.o OFFSET_ccsdtq_lambda1_20_18_1_1.o ccsdtq_lambda1_20_19.o ccsdtq_lambda1_20_19_1.o OFFSET_ccsdtq_lambda1_20_19_1.o ccsdtq_lambda1_20_19_1_1.o OFFSET_ccsdtq_lambda1_20_19_1_1.o ccsdtq_lambda1_20_20.o ccsdtq_lambda1_20_20_1.o OFFSET_ccsdtq_lambda1_20_20_1.o ccsdtq_lambda1_20_20_1_1.o OFFSET_ccsdtq_lambda1_20_20_1_1.o ccsdtq_lambda1_20_21.o ccsdtq_lambda1_20_21_1.o OFFSET_ccsdtq_lambda1_20_21_1.o ccsdtq_lambda1_20_21_1_1.o OFFSET_ccsdtq_lambda1_20_21_1_1.o ccsdtq_lambda1_20_22.o ccsdtq_lambda1_20_22_1.o OFFSET_ccsdtq_lambda1_20_22_1.o ccsdtq_lambda1_20_22_1_1.o OFFSET_ccsdtq_lambda1_20_22_1_1.o ccsdtq_lambda1_20_23.o ccsdtq_lambda1_20_23_1.o OFFSET_ccsdtq_lambda1_20_23_1.o ccsdtq_lambda1_20_23_1_1.o OFFSET_ccsdtq_lambda1_20_23_1_1.o ccsdtq_lambda1_20_24.o ccsdtq_lambda1_20_24_1.o OFFSET_ccsdtq_lambda1_20_24_1.o ccsdtq_lambda1_20_24_1_1.o OFFSET_ccsdtq_lambda1_20_24_1_1.o ccsdtq_lambda1_21.o ccsdtq_lambda1_21_1.o OFFSET_ccsdtq_lambda1_21_1.o ccsdtq_lambda1_21_1_1.o OFFSET_ccsdtq_lambda1_21_1_1.o ccsdtq_lambda1_21_1_2.o ccsdtq_lambda1_21_1_3.o ccsdtq_lambda1_21_1_4.o ccsdtq_lambda1_21_2.o ccsdtq_lambda1_21_2_1.o OFFSET_ccsdtq_lambda1_21_2_1.o ccsdtq_lambda1_21_2_2.o ccsdtq_lambda1_21_3.o ccsdtq_lambda1_21_3_1.o OFFSET_ccsdtq_lambda1_21_3_1.o ccsdtq_lambda1_21_3_2.o ccsdtq_lambda1_21_4.o ccsdtq_lambda1_21_5.o ccsdtq_lambda1_21_5_1.o OFFSET_ccsdtq_lambda1_21_5_1.o ccsdtq_lambda1_21_6.o ccsdtq_lambda1_21_6_1.o OFFSET_ccsdtq_lambda1_21_6_1.o ccsdtq_lambda1_21_6_1_1.o OFFSET_ccsdtq_lambda1_21_6_1_1.o ccsdtq_lambda1_21_6_1_2.o ccsdtq_lambda1_21_6_1_3.o ccsdtq_lambda1_21_6_1_4.o ccsdtq_lambda1_21_6_1_4_1.o OFFSET_ccsdtq_lambda1_21_6_1_4_1.o ccsdtq_lambda1_21_6_1_4_2.o ccsdtq_lambda1_21_6_1_4_3.o ccsdtq_lambda1_21_7.o ccsdtq_lambda1_21_7_1.o OFFSET_ccsdtq_lambda1_21_7_1.o ccsdtq_lambda1_21_8.o ccsdtq_lambda1_21_8_1.o OFFSET_ccsdtq_lambda1_21_8_1.o ccsdtq_lambda1_21_8_1_1.o OFFSET_ccsdtq_lambda1_21_8_1_1.o ccsdtq_lambda1_22.o ccsdtq_lambda1_22_1.o OFFSET_ccsdtq_lambda1_22_1.o ccsdtq_lambda1_22_1_1.o OFFSET_ccsdtq_lambda1_22_1_1.o ccsdtq_lambda1_22_1_2.o ccsdtq_lambda1_22_2.o ccsdtq_lambda1_22_2_1.o OFFSET_ccsdtq_lambda1_22_2_1.o ccsdtq_lambda1_22_2_1_1.o OFFSET_ccsdtq_lambda1_22_2_1_1.o ccsdtq_lambda1_22_2_1_2.o ccsdtq_lambda1_23.o ccsdtq_lambda1_23_1.o OFFSET_ccsdtq_lambda1_23_1.o ccsdtq_lambda1_23_1_1.o OFFSET_ccsdtq_lambda1_23_1_1.o ccsdtq_lambda1_23_1_1_1.o OFFSET_ccsdtq_lambda1_23_1_1_1.o ccsdtq_lambda1_23_1_1_2.o ccsdtq_lambda1_23_1_2.o ccsdtq_lambda1_23_2.o ccsdtq_lambda1_23_2_1.o OFFSET_ccsdtq_lambda1_23_2_1.o ccsdtq_lambda1_23_3.o ccsdtq_lambda1_23_3_1.o OFFSET_ccsdtq_lambda1_23_3_1.o ccsdtq_lambda1_23_3_1_1.o OFFSET_ccsdtq_lambda1_23_3_1_1.o ccsdtq_lambda1_23_3_1_2.o ccsdtq_lambda1_23_4.o ccsdtq_lambda1_23_4_1.o OFFSET_ccsdtq_lambda1_23_4_1.o ccsdtq_lambda1_23_4_1_1.o OFFSET_ccsdtq_lambda1_23_4_1_1.o ccsdtq_lambda1_23_4_1_1_1.o OFFSET_ccsdtq_lambda1_23_4_1_1_1.o ccsdtq_lambda1_23_4_1_1_2.o ccsdtq_lambda2_1.o ccsdtq_lambda2_2.o ccsdtq_lambda2_2_1.o OFFSET_ccsdtq_lambda2_2_1.o ccsdtq_lambda2_2_2.o ccsdtq_lambda2_3.o ccsdtq_lambda2_3_1.o OFFSET_ccsdtq_lambda2_3_1.o ccsdtq_lambda2_3_2.o ccsdtq_lambda2_4.o ccsdtq_lambda2_5.o ccsdtq_lambda2_5_1.o OFFSET_ccsdtq_lambda2_5_1.o ccsdtq_lambda2_5_2.o ccsdtq_lambda2_5_2_1.o OFFSET_ccsdtq_lambda2_5_2_1.o ccsdtq_lambda2_5_2_2.o ccsdtq_lambda2_5_3.o ccsdtq_lambda2_5_4.o ccsdtq_lambda2_6.o ccsdtq_lambda2_6_1.o OFFSET_ccsdtq_lambda2_6_1.o ccsdtq_lambda2_6_2.o ccsdtq_lambda2_6_3.o ccsdtq_lambda2_6_4.o ccsdtq_lambda2_6_4_1.o OFFSET_ccsdtq_lambda2_6_4_1.o ccsdtq_lambda2_7.o ccsdtq_lambda2_7_1.o OFFSET_ccsdtq_lambda2_7_1.o ccsdtq_lambda2_7_2.o ccsdtq_lambda2_7_2_1.o OFFSET_ccsdtq_lambda2_7_2_1.o ccsdtq_lambda2_7_2_2.o ccsdtq_lambda2_7_3.o ccsdtq_lambda2_8.o ccsdtq_lambda2_8_1.o OFFSET_ccsdtq_lambda2_8_1.o ccsdtq_lambda2_8_2.o ccsdtq_lambda2_8_3.o ccsdtq_lambda2_9.o ccsdtq_lambda2_10.o ccsdtq_lambda2_10_1.o OFFSET_ccsdtq_lambda2_10_1.o ccsdtq_lambda2_10_2.o ccsdtq_lambda2_10_2_1.o OFFSET_ccsdtq_lambda2_10_2_1.o ccsdtq_lambda2_10_2_2.o ccsdtq_lambda2_10_2_2_1.o OFFSET_ccsdtq_lambda2_10_2_2_1.o ccsdtq_lambda2_10_2_2_2.o ccsdtq_lambda2_10_2_3.o ccsdtq_lambda2_10_2_4.o ccsdtq_lambda2_10_3.o ccsdtq_lambda2_10_3_1.o OFFSET_ccsdtq_lambda2_10_3_1.o ccsdtq_lambda2_10_3_2.o ccsdtq_lambda2_10_3_3.o ccsdtq_lambda2_10_4.o ccsdtq_lambda2_10_5.o ccsdtq_lambda2_10_5_1.o OFFSET_ccsdtq_lambda2_10_5_1.o ccsdtq_lambda2_10_5_2.o ccsdtq_lambda2_10_6.o ccsdtq_lambda2_10_7.o ccsdtq_lambda2_10_8.o ccsdtq_lambda2_11.o ccsdtq_lambda2_11_1.o OFFSET_ccsdtq_lambda2_11_1.o ccsdtq_lambda2_11_2.o ccsdtq_lambda2_11_2_1.o OFFSET_ccsdtq_lambda2_11_2_1.o ccsdtq_lambda2_11_2_2.o ccsdtq_lambda2_11_2_2_1.o OFFSET_ccsdtq_lambda2_11_2_2_1.o ccsdtq_lambda2_11_2_2_2.o ccsdtq_lambda2_11_2_3.o ccsdtq_lambda2_11_3.o ccsdtq_lambda2_11_3_1.o OFFSET_ccsdtq_lambda2_11_3_1.o ccsdtq_lambda2_11_3_2.o ccsdtq_lambda2_11_4.o ccsdtq_lambda2_11_4_1.o OFFSET_ccsdtq_lambda2_11_4_1.o ccsdtq_lambda2_11_4_2.o ccsdtq_lambda2_11_5.o ccsdtq_lambda2_11_5_1.o OFFSET_ccsdtq_lambda2_11_5_1.o ccsdtq_lambda2_11_5_2.o ccsdtq_lambda2_11_6.o ccsdtq_lambda2_11_7.o ccsdtq_lambda2_12.o ccsdtq_lambda2_12_1.o OFFSET_ccsdtq_lambda2_12_1.o ccsdtq_lambda2_12_2.o ccsdtq_lambda2_12_3.o ccsdtq_lambda2_12_3_1.o OFFSET_ccsdtq_lambda2_12_3_1.o ccsdtq_lambda2_12_3_2.o ccsdtq_lambda2_12_4.o ccsdtq_lambda2_12_5.o ccsdtq_lambda2_12_6.o ccsdtq_lambda2_12_6_1.o OFFSET_ccsdtq_lambda2_12_6_1.o ccsdtq_lambda2_12_7.o ccsdtq_lambda2_12_7_1.o OFFSET_ccsdtq_lambda2_12_7_1.o ccsdtq_lambda2_13.o ccsdtq_lambda2_13_1.o OFFSET_ccsdtq_lambda2_13_1.o ccsdtq_lambda2_13_2.o ccsdtq_lambda2_13_2_1.o OFFSET_ccsdtq_lambda2_13_2_1.o ccsdtq_lambda2_13_2_2.o ccsdtq_lambda2_13_2_2_1.o OFFSET_ccsdtq_lambda2_13_2_2_1.o ccsdtq_lambda2_13_2_2_2.o ccsdtq_lambda2_13_2_2_2_1.o OFFSET_ccsdtq_lambda2_13_2_2_2_1.o ccsdtq_lambda2_13_2_2_2_2.o ccsdtq_lambda2_13_2_2_3.o ccsdtq_lambda2_13_2_3.o ccsdtq_lambda2_13_2_3_1.o OFFSET_ccsdtq_lambda2_13_2_3_1.o ccsdtq_lambda2_13_2_3_2.o ccsdtq_lambda2_13_2_4.o ccsdtq_lambda2_13_2_5.o ccsdtq_lambda2_13_2_5_1.o OFFSET_ccsdtq_lambda2_13_2_5_1.o ccsdtq_lambda2_13_3.o ccsdtq_lambda2_13_3_1.o OFFSET_ccsdtq_lambda2_13_3_1.o ccsdtq_lambda2_13_3_2.o ccsdtq_lambda2_13_4.o ccsdtq_lambda2_13_4_1.o OFFSET_ccsdtq_lambda2_13_4_1.o ccsdtq_lambda2_13_4_2.o ccsdtq_lambda2_13_4_2_1.o OFFSET_ccsdtq_lambda2_13_4_2_1.o ccsdtq_lambda2_13_5.o ccsdtq_lambda2_13_5_1.o OFFSET_ccsdtq_lambda2_13_5_1.o ccsdtq_lambda2_13_5_2.o ccsdtq_lambda2_13_5_2_1.o OFFSET_ccsdtq_lambda2_13_5_2_1.o ccsdtq_lambda2_13_6.o ccsdtq_lambda2_13_6_1.o OFFSET_ccsdtq_lambda2_13_6_1.o ccsdtq_lambda2_13_6_2.o ccsdtq_lambda2_13_6_2_1.o OFFSET_ccsdtq_lambda2_13_6_2_1.o ccsdtq_lambda2_13_6_2_2.o ccsdtq_lambda2_13_6_3.o ccsdtq_lambda2_13_7.o ccsdtq_lambda2_13_7_1.o OFFSET_ccsdtq_lambda2_13_7_1.o ccsdtq_lambda2_13_7_2.o ccsdtq_lambda2_13_7_3.o ccsdtq_lambda2_13_8.o ccsdtq_lambda2_13_9.o ccsdtq_lambda2_13_9_1.o OFFSET_ccsdtq_lambda2_13_9_1.o ccsdtq_lambda2_13_9_2.o ccsdtq_lambda2_13_10.o ccsdtq_lambda2_13_10_1.o OFFSET_ccsdtq_lambda2_13_10_1.o ccsdtq_lambda2_13_10_2.o ccsdtq_lambda2_13_11.o ccsdtq_lambda2_13_12.o ccsdtq_lambda2_13_13.o ccsdtq_lambda2_13_13_1.o OFFSET_ccsdtq_lambda2_13_13_1.o ccsdtq_lambda2_13_13_2.o ccsdtq_lambda2_13_13_3.o ccsdtq_lambda2_13_14.o ccsdtq_lambda2_13_14_1.o OFFSET_ccsdtq_lambda2_13_14_1.o ccsdtq_lambda2_13_14_2.o ccsdtq_lambda2_13_14_3.o ccsdtq_lambda2_13_15.o ccsdtq_lambda2_13_15_1.o OFFSET_ccsdtq_lambda2_13_15_1.o ccsdtq_lambda2_13_15_2.o ccsdtq_lambda2_14.o ccsdtq_lambda2_14_1.o OFFSET_ccsdtq_lambda2_14_1.o ccsdtq_lambda2_14_2.o ccsdtq_lambda2_14_3.o ccsdtq_lambda2_14_4.o ccsdtq_lambda2_15.o ccsdtq_lambda2_15_1.o OFFSET_ccsdtq_lambda2_15_1.o ccsdtq_lambda2_15_2.o ccsdtq_lambda2_15_3.o ccsdtq_lambda2_16.o ccsdtq_lambda2_16_1.o OFFSET_ccsdtq_lambda2_16_1.o ccsdtq_lambda2_16_2.o ccsdtq_lambda2_16_3.o ccsdtq_lambda2_17.o ccsdtq_lambda2_17_1.o OFFSET_ccsdtq_lambda2_17_1.o ccsdtq_lambda2_17_2.o ccsdtq_lambda2_17_3.o ccsdtq_lambda2_18.o ccsdtq_lambda2_18_1.o OFFSET_ccsdtq_lambda2_18_1.o ccsdtq_lambda2_18_2.o ccsdtq_lambda2_19.o ccsdtq_lambda2_19_1.o OFFSET_ccsdtq_lambda2_19_1.o ccsdtq_lambda2_19_2.o ccsdtq_lambda2_19_3.o ccsdtq_lambda2_20.o ccsdtq_lambda2_20_1.o OFFSET_ccsdtq_lambda2_20_1.o ccsdtq_lambda2_20_2.o ccsdtq_lambda2_20_3.o ccsdtq_lambda2_20_4.o ccsdtq_lambda2_20_4_1.o OFFSET_ccsdtq_lambda2_20_4_1.o ccsdtq_lambda2_20_5.o ccsdtq_lambda2_20_5_1.o OFFSET_ccsdtq_lambda2_20_5_1.o ccsdtq_lambda2_20_5_2.o ccsdtq_lambda2_20_6.o ccsdtq_lambda2_20_6_1.o OFFSET_ccsdtq_lambda2_20_6_1.o ccsdtq_lambda2_20_6_1_1.o OFFSET_ccsdtq_lambda2_20_6_1_1.o ccsdtq_lambda2_20_6_1_2.o ccsdtq_lambda2_20_6_1_3.o ccsdtq_lambda2_21.o ccsdtq_lambda2_21_1.o OFFSET_ccsdtq_lambda2_21_1.o ccsdtq_lambda2_21_2.o ccsdtq_lambda2_22.o ccsdtq_lambda2_22_1.o OFFSET_ccsdtq_lambda2_22_1.o ccsdtq_lambda2_22_2.o ccsdtq_lambda2_23.o ccsdtq_lambda2_23_1.o OFFSET_ccsdtq_lambda2_23_1.o ccsdtq_lambda2_23_1_1.o OFFSET_ccsdtq_lambda2_23_1_1.o ccsdtq_lambda2_23_1_2.o ccsdtq_lambda2_23_1_3.o ccsdtq_lambda2_23_1_3_1.o OFFSET_ccsdtq_lambda2_23_1_3_1.o ccsdtq_lambda2_23_1_3_2.o ccsdtq_lambda2_23_2.o ccsdtq_lambda2_23_2_1.o OFFSET_ccsdtq_lambda2_23_2_1.o ccsdtq_lambda2_23_2_2.o ccsdtq_lambda2_23_2_3.o ccsdtq_lambda2_23_2_4.o ccsdtq_lambda2_23_2_4_1.o OFFSET_ccsdtq_lambda2_23_2_4_1.o ccsdtq_lambda2_23_2_4_2.o ccsdtq_lambda2_23_3.o ccsdtq_lambda2_23_3_1.o OFFSET_ccsdtq_lambda2_23_3_1.o ccsdtq_lambda2_23_3_2.o ccsdtq_lambda2_23_4.o ccsdtq_lambda2_23_4_1.o OFFSET_ccsdtq_lambda2_23_4_1.o ccsdtq_lambda2_23_4_2.o ccsdtq_lambda2_23_5.o ccsdtq_lambda2_23_5_1.o OFFSET_ccsdtq_lambda2_23_5_1.o ccsdtq_lambda2_23_5_2.o ccsdtq_lambda2_23_6.o ccsdtq_lambda2_23_7.o ccsdtq_lambda2_23_7_1.o OFFSET_ccsdtq_lambda2_23_7_1.o ccsdtq_lambda2_23_7_1_1.o OFFSET_ccsdtq_lambda2_23_7_1_1.o ccsdtq_lambda2_23_8.o ccsdtq_lambda2_23_8_1.o OFFSET_ccsdtq_lambda2_23_8_1.o ccsdtq_lambda2_23_8_1_1.o OFFSET_ccsdtq_lambda2_23_8_1_1.o ccsdtq_lambda2_24.o ccsdtq_lambda2_24_1.o OFFSET_ccsdtq_lambda2_24_1.o ccsdtq_lambda2_24_1_1.o OFFSET_ccsdtq_lambda2_24_1_1.o ccsdtq_lambda2_24_1_2.o ccsdtq_lambda2_24_2.o ccsdtq_lambda2_24_2_1.o OFFSET_ccsdtq_lambda2_24_2_1.o ccsdtq_lambda2_24_2_2.o ccsdtq_lambda2_24_3.o ccsdtq_lambda2_24_3_1.o OFFSET_ccsdtq_lambda2_24_3_1.o ccsdtq_lambda2_24_3_2.o ccsdtq_lambda2_24_4.o ccsdtq_lambda2_25.o ccsdtq_lambda2_25_1.o OFFSET_ccsdtq_lambda2_25_1.o ccsdtq_lambda2_26.o ccsdtq_lambda2_26_1.o OFFSET_ccsdtq_lambda2_26_1.o ccsdtq_lambda2_26_2.o ccsdtq_lambda2_26_3.o ccsdtq_lambda2_26_3_1.o OFFSET_ccsdtq_lambda2_26_3_1.o ccsdtq_lambda2_26_3_2.o ccsdtq_lambda2_26_3_3.o ccsdtq_lambda2_26_4.o ccsdtq_lambda2_26_4_1.o OFFSET_ccsdtq_lambda2_26_4_1.o ccsdtq_lambda2_26_4_2.o ccsdtq_lambda2_26_4_2_1.o OFFSET_ccsdtq_lambda2_26_4_2_1.o ccsdtq_lambda2_26_4_2_2.o ccsdtq_lambda2_26_5.o ccsdtq_lambda2_26_5_1.o OFFSET_ccsdtq_lambda2_26_5_1.o ccsdtq_lambda2_27.o ccsdtq_lambda2_27_1.o OFFSET_ccsdtq_lambda2_27_1.o ccsdtq_lambda2_28.o ccsdtq_lambda2_28_1.o OFFSET_ccsdtq_lambda2_28_1.o ccsdtq_lambda2_28_1_1.o OFFSET_ccsdtq_lambda2_28_1_1.o ccsdtq_lambda2_28_2.o ccsdtq_lambda2_28_2_1.o OFFSET_ccsdtq_lambda2_28_2_1.o ccsdtq_lambda2_29.o ccsdtq_lambda2_29_1.o OFFSET_ccsdtq_lambda2_29_1.o ccsdtq_lambda2_29_1_1.o OFFSET_ccsdtq_lambda2_29_1_1.o ccsdtq_lambda2_29_1_2.o ccsdtq_lambda2_29_2.o ccsdtq_lambda2_29_2_1.o OFFSET_ccsdtq_lambda2_29_2_1.o ccsdtq_lambda2_29_2_1_1.o OFFSET_ccsdtq_lambda2_29_2_1_1.o ccsdtq_lambda2_29_2_1_2.o ccsdtq_lambda2_29_2_1_3.o ccsdtq_lambda2_30.o ccsdtq_lambda2_30_1.o OFFSET_ccsdtq_lambda2_30_1.o ccsdtq_lambda2_30_1_1.o OFFSET_ccsdtq_lambda2_30_1_1.o ccsdtq_lambda2_30_1_2.o ccsdtq_lambda2_30_2.o ccsdtq_lambda2_30_2_1.o OFFSET_ccsdtq_lambda2_30_2_1.o ccsdtq_lambda2_30_2_1_1.o OFFSET_ccsdtq_lambda2_30_2_1_1.o ccsdtq_lambda2_30_2_1_2.o ccsdtq_lambda2_30_3.o ccsdtq_lambda2_30_3_1.o OFFSET_ccsdtq_lambda2_30_3_1.o ccsdtq_lambda2_30_3_1_1.o OFFSET_ccsdtq_lambda2_30_3_1_1.o ccsdtq_lambda2_30_3_1_2.o ccsdtq_lambda2_30_4.o ccsdtq_lambda2_30_4_1.o OFFSET_ccsdtq_lambda2_30_4_1.o ccsdtq_lambda2_30_4_1_1.o OFFSET_ccsdtq_lambda2_30_4_1_1.o ccsdtq_lambda2_31.o ccsdtq_lambda2_31_1.o OFFSET_ccsdtq_lambda2_31_1.o ccsdtq_lambda2_31_1_1.o OFFSET_ccsdtq_lambda2_31_1_1.o ccsdtq_lambda2_31_2.o ccsdtq_lambda2_31_2_1.o OFFSET_ccsdtq_lambda2_31_2_1.o ccsdtq_lambda3_1.o ccsdtq_lambda3_2.o ccsdtq_lambda3_2_1.o OFFSET_ccsdtq_lambda3_2_1.o ccsdtq_lambda3_2_2.o ccsdtq_lambda3_3.o ccsdtq_lambda3_3_1.o OFFSET_ccsdtq_lambda3_3_1.o ccsdtq_lambda3_3_2.o ccsdtq_lambda3_4.o ccsdtq_lambda3_5.o ccsdtq_lambda3_5_1.o OFFSET_ccsdtq_lambda3_5_1.o ccsdtq_lambda3_5_2.o ccsdtq_lambda3_5_2_1.o OFFSET_ccsdtq_lambda3_5_2_1.o ccsdtq_lambda3_5_2_2.o ccsdtq_lambda3_5_3.o ccsdtq_lambda3_5_4.o ccsdtq_lambda3_6.o ccsdtq_lambda3_6_1.o OFFSET_ccsdtq_lambda3_6_1.o ccsdtq_lambda3_6_2.o ccsdtq_lambda3_6_3.o ccsdtq_lambda3_6_4.o ccsdtq_lambda3_6_4_1.o OFFSET_ccsdtq_lambda3_6_4_1.o ccsdtq_lambda3_7.o ccsdtq_lambda3_7_1.o OFFSET_ccsdtq_lambda3_7_1.o ccsdtq_lambda3_7_2.o ccsdtq_lambda3_7_2_1.o OFFSET_ccsdtq_lambda3_7_2_1.o ccsdtq_lambda3_7_2_2.o ccsdtq_lambda3_7_3.o ccsdtq_lambda3_8.o ccsdtq_lambda3_8_1.o OFFSET_ccsdtq_lambda3_8_1.o ccsdtq_lambda3_8_2.o ccsdtq_lambda3_8_3.o ccsdtq_lambda3_8_4.o ccsdtq_lambda3_8_4_1.o OFFSET_ccsdtq_lambda3_8_4_1.o ccsdtq_lambda3_9.o ccsdtq_lambda3_10.o ccsdtq_lambda3_10_1.o OFFSET_ccsdtq_lambda3_10_1.o ccsdtq_lambda3_10_2.o ccsdtq_lambda3_10_2_1.o OFFSET_ccsdtq_lambda3_10_2_1.o ccsdtq_lambda3_10_2_2.o ccsdtq_lambda3_10_2_2_1.o OFFSET_ccsdtq_lambda3_10_2_2_1.o ccsdtq_lambda3_10_2_2_2.o ccsdtq_lambda3_10_2_3.o ccsdtq_lambda3_10_2_4.o ccsdtq_lambda3_10_3.o ccsdtq_lambda3_10_3_1.o OFFSET_ccsdtq_lambda3_10_3_1.o ccsdtq_lambda3_10_3_2.o ccsdtq_lambda3_10_3_3.o ccsdtq_lambda3_10_4.o ccsdtq_lambda3_10_5.o ccsdtq_lambda3_10_5_1.o OFFSET_ccsdtq_lambda3_10_5_1.o ccsdtq_lambda3_10_5_2.o ccsdtq_lambda3_10_6.o ccsdtq_lambda3_10_7.o ccsdtq_lambda3_10_8.o ccsdtq_lambda3_11.o ccsdtq_lambda3_11_1.o OFFSET_ccsdtq_lambda3_11_1.o ccsdtq_lambda3_11_2.o ccsdtq_lambda3_11_2_1.o OFFSET_ccsdtq_lambda3_11_2_1.o ccsdtq_lambda3_11_2_2.o ccsdtq_lambda3_11_2_2_1.o OFFSET_ccsdtq_lambda3_11_2_2_1.o ccsdtq_lambda3_11_2_2_2.o ccsdtq_lambda3_11_2_3.o ccsdtq_lambda3_11_3.o ccsdtq_lambda3_11_3_1.o OFFSET_ccsdtq_lambda3_11_3_1.o ccsdtq_lambda3_11_3_2.o ccsdtq_lambda3_11_4.o ccsdtq_lambda3_11_4_1.o OFFSET_ccsdtq_lambda3_11_4_1.o ccsdtq_lambda3_11_4_2.o ccsdtq_lambda3_11_5.o ccsdtq_lambda3_11_5_1.o OFFSET_ccsdtq_lambda3_11_5_1.o ccsdtq_lambda3_11_5_2.o ccsdtq_lambda3_11_6.o ccsdtq_lambda3_11_7.o ccsdtq_lambda3_12.o ccsdtq_lambda3_12_1.o OFFSET_ccsdtq_lambda3_12_1.o ccsdtq_lambda3_12_2.o ccsdtq_lambda3_12_3.o ccsdtq_lambda3_12_3_1.o OFFSET_ccsdtq_lambda3_12_3_1.o ccsdtq_lambda3_12_3_2.o ccsdtq_lambda3_12_4.o ccsdtq_lambda3_12_5.o ccsdtq_lambda3_12_6.o ccsdtq_lambda3_12_6_1.o OFFSET_ccsdtq_lambda3_12_6_1.o ccsdtq_lambda3_12_7.o ccsdtq_lambda3_12_7_1.o OFFSET_ccsdtq_lambda3_12_7_1.o ccsdtq_lambda3_13.o ccsdtq_lambda3_13_1.o OFFSET_ccsdtq_lambda3_13_1.o ccsdtq_lambda3_13_2.o ccsdtq_lambda3_13_3.o ccsdtq_lambda3_14.o ccsdtq_lambda3_14_1.o OFFSET_ccsdtq_lambda3_14_1.o ccsdtq_lambda3_14_2.o ccsdtq_lambda3_15.o ccsdtq_lambda3_15_1.o OFFSET_ccsdtq_lambda3_15_1.o ccsdtq_lambda3_15_2.o ccsdtq_lambda3_16.o ccsdtq_lambda3_16_1.o OFFSET_ccsdtq_lambda3_16_1.o ccsdtq_lambda3_16_2.o ccsdtq_lambda3_17.o ccsdtq_lambda3_17_1.o OFFSET_ccsdtq_lambda3_17_1.o ccsdtq_lambda3_18.o ccsdtq_lambda3_18_1.o OFFSET_ccsdtq_lambda3_18_1.o ccsdtq_lambda3_18_2.o ccsdtq_lambda3_19.o ccsdtq_lambda3_19_1.o OFFSET_ccsdtq_lambda3_19_1.o ccsdtq_lambda3_19_2.o ccsdtq_lambda3_19_3.o ccsdtq_lambda3_19_3_1.o OFFSET_ccsdtq_lambda3_19_3_1.o ccsdtq_lambda3_19_4.o ccsdtq_lambda3_19_4_1.o OFFSET_ccsdtq_lambda3_19_4_1.o ccsdtq_lambda3_20.o ccsdtq_lambda3_20_1.o OFFSET_ccsdtq_lambda3_20_1.o ccsdtq_lambda3_21.o ccsdtq_lambda3_21_1.o OFFSET_ccsdtq_lambda3_21_1.o ccsdtq_lambda3_22.o ccsdtq_lambda3_22_1.o OFFSET_ccsdtq_lambda3_22_1.o ccsdtq_lambda3_23.o ccsdtq_lambda3_23_1.o OFFSET_ccsdtq_lambda3_23_1.o ccsdtq_lambda3_24.o ccsdtq_lambda3_24_1.o OFFSET_ccsdtq_lambda3_24_1.o ccsdtq_lambda3_24_1_1.o OFFSET_ccsdtq_lambda3_24_1_1.o ccsdtq_lambda3_25.o ccsdtq_lambda3_25_1.o OFFSET_ccsdtq_lambda3_25_1.o ccsdtq_lambda3_25_1_1.o OFFSET_ccsdtq_lambda3_25_1_1.o ccsdtq_lambda3_26.o ccsdtq_lambda3_26_1.o OFFSET_ccsdtq_lambda3_26_1.o ccsdtq_lambda3_26_1_1.o OFFSET_ccsdtq_lambda3_26_1_1.o ccsdtq_lambda3_26_2.o ccsdtq_lambda3_26_2_1.o OFFSET_ccsdtq_lambda3_26_2_1.o ccsdtq_lambda3_27.o ccsdtq_lambda3_27_1.o OFFSET_ccsdtq_lambda3_27_1.o ccsdtq_lambda3_27_1_1.o OFFSET_ccsdtq_lambda3_27_1_1.o ccsdtq_lambda3_27_2.o ccsdtq_lambda3_27_2_1.o OFFSET_ccsdtq_lambda3_27_2_1.o ccsdtq_lambda3_27_2_1_1.o OFFSET_ccsdtq_lambda3_27_2_1_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eomccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eomccsdtq_x1.F... Compiling eomccsdtq_x2.F... Compiling eomccsdtq_x3.F... Compiling eomccsdtq_x4.F... Compiling eomccsdtq_y1.F... Compiling eomccsdtq_y2.F... Compiling eomccsdtq_y3.F... Compiling eomccsdtq_y4.F... Compiling eomccsdtq_density1.F... Compiling eomccsdtq_denominator.F... Compiling eomccsdtq_density1_1.F... Compiling eomccsdtq_density1_1_1.F... Compiling OFFSET_eomccsdtq_density1_1_1.F... Compiling eomccsdtq_density1_1_2.F... Compiling eomccsdtq_density1_1_3.F... Compiling eomccsdtq_density1_1_4.F... Compiling eomccsdtq_density1_2.F... Compiling eomccsdtq_density1_2_1.F... Compiling OFFSET_eomccsdtq_density1_2_1.F... Compiling eomccsdtq_density1_2_2.F... Compiling eomccsdtq_density1_2_2_1.F... Compiling OFFSET_eomccsdtq_density1_2_2_1.F... Compiling eomccsdtq_density1_3.F... Compiling eomccsdtq_density1_3_1.F... Compiling OFFSET_eomccsdtq_density1_3_1.F... Compiling eomccsdtq_density1_3_2.F... Compiling eomccsdtq_density1_3_3.F... Compiling eomccsdtq_density1_3_4.F... Compiling eomccsdtq_density1_3_5.F... Compiling eomccsdtq_density1_3_5_1.F... Compiling OFFSET_eomccsdtq_density1_3_5_1.F... Compiling eomccsdtq_density1_3_5_2.F... Compiling eomccsdtq_density1_3_5_3.F... Compiling eomccsdtq_density1_3_5_4.F... Compiling eomccsdtq_density1_3_6.F... Compiling eomccsdtq_density1_3_6_1.F... Compiling OFFSET_eomccsdtq_density1_3_6_1.F... Compiling eomccsdtq_density1_3_6_2.F... Compiling eomccsdtq_density1_3_6_3.F... Compiling eomccsdtq_density1_3_7.F... Compiling eomccsdtq_density1_3_7_1.F... Compiling OFFSET_eomccsdtq_density1_3_7_1.F... Compiling eomccsdtq_density1_3_7_2.F... Compiling eomccsdtq_density1_3_8.F... Compiling eomccsdtq_density1_3_8_1.F... Compiling OFFSET_eomccsdtq_density1_3_8_1.F... Compiling eomccsdtq_density1_4.F... Compiling eomccsdtq_density1_4_1.F... Compiling OFFSET_eomccsdtq_density1_4_1.F... Compiling eomccsdtq_density1_4_2.F... Compiling eomccsdtq_density1_4_2_1.F... Compiling OFFSET_eomccsdtq_density1_4_2_1.F... Compiling eomccsdtq_density1_5.F... Compiling eomccsdtq_density1_5_1.F... Compiling OFFSET_eomccsdtq_density1_5_1.F... Compiling eomccsdtq_density1_5_2.F... Compiling eomccsdtq_density1_5_3.F... Compiling eomccsdtq_density1_5_4.F... Compiling eomccsdtq_density1_5_4_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_1.F... Compiling eomccsdtq_density1_5_4_2.F... Compiling eomccsdtq_density1_5_4_3.F... Compiling eomccsdtq_density1_5_4_4.F... Compiling eomccsdtq_density1_5_4_5.F... Compiling eomccsdtq_density1_5_4_5_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_5_1.F... Compiling eomccsdtq_density1_5_4_5_2.F... Compiling eomccsdtq_density1_5_4_5_3.F... Compiling eomccsdtq_density1_5_4_5_4.F... Compiling eomccsdtq_density1_5_4_6.F... Compiling eomccsdtq_density1_5_4_6_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_6_1.F... Compiling eomccsdtq_density1_5_4_6_2.F... Compiling eomccsdtq_density1_5_4_6_3.F... Compiling eomccsdtq_density1_5_4_7.F... Compiling eomccsdtq_density1_5_4_7_1.F... 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Compiling OFFSET_eomccsdtq_density1_5_8_1.F... Compiling eomccsdtq_density1_5_8_2.F... Compiling eomccsdtq_density1_5_9.F... Compiling eomccsdtq_density1_5_9_1.F... Compiling OFFSET_eomccsdtq_density1_5_9_1.F... Compiling eomccsdtq_density1_5_10.F... Compiling eomccsdtq_density1_5_10_1.F... Compiling OFFSET_eomccsdtq_density1_5_10_1.F... Compiling eomccsdtq_density1_5_10_2.F... Compiling eomccsdtq_density1_5_10_3.F... Compiling eomccsdtq_density1_5_10_4.F... Compiling eomccsdtq_density1_5_11.F... Compiling eomccsdtq_density1_5_11_1.F... Compiling OFFSET_eomccsdtq_density1_5_11_1.F... Compiling eomccsdtq_density1_5_11_2.F... Compiling eomccsdtq_density1_5_11_3.F... Compiling eomccsdtq_density1_5_11_4.F... Compiling eomccsdtq_density1_5_11_4_1.F... Compiling OFFSET_eomccsdtq_density1_5_11_4_1.F... Compiling eomccsdtq_density1_5_11_4_1_1.F... Compiling OFFSET_eomccsdtq_density1_5_11_4_1_1.F... Compiling eomccsdtq_density1_5_11_4_1_2.F... Compiling eomccsdtq_density1_5_12.F... Compiling eomccsdtq_density1_5_12_1.F... Compiling OFFSET_eomccsdtq_density1_5_12_1.F... Compiling eomccsdtq_density1_5_12_2.F... Compiling eomccsdtq_density1_5_12_3.F... Compiling eomccsdtq_density1_5_12_3_1.F... Compiling OFFSET_eomccsdtq_density1_5_12_3_1.F... Compiling eomccsdtq_density1_5_12_3_2.F... Compiling eomccsdtq_density1_5_12_3_2_1.F... Compiling OFFSET_eomccsdtq_density1_5_12_3_2_1.F... Compiling eomccsdtq_density1_5_12_3_2_2.F... Compiling eomccsdtq_density1_5_12_3_3.F... Compiling eomccsdtq_density1_5_12_4.F... Compiling eomccsdtq_density1_5_12_4_1.F... Compiling OFFSET_eomccsdtq_density1_5_12_4_1.F... Compiling eomccsdtq_density1_5_12_4_2.F... Compiling eomccsdtq_density1_5_12_5.F... Compiling eomccsdtq_density1_5_12_5_1.F... Compiling OFFSET_eomccsdtq_density1_5_12_5_1.F... Compiling eomccsdtq_density1_5_13.F... Compiling eomccsdtq_density1_5_13_1.F... Compiling OFFSET_eomccsdtq_density1_5_13_1.F... Compiling eomccsdtq_density1_5_13_2.F... Compiling eomccsdtq_density1_5_14.F... Compiling eomccsdtq_density1_5_14_1.F... Compiling OFFSET_eomccsdtq_density1_5_14_1.F... Compiling eomccsdtq_density1_5_14_2.F... Compiling eomccsdtq_density1_5_15.F... Compiling eomccsdtq_density1_5_15_1.F... Compiling OFFSET_eomccsdtq_density1_5_15_1.F... Compiling eomccsdtq_density1_5_16.F... Compiling eomccsdtq_density1_5_16_1.F... Compiling OFFSET_eomccsdtq_density1_5_16_1.F... Compiling eomccsdtq_density1_5_17.F... Compiling eomccsdtq_density1_5_17_1.F... Compiling OFFSET_eomccsdtq_density1_5_17_1.F... Compiling eomccsdtq_density1_5_17_1_1.F... Compiling OFFSET_eomccsdtq_density1_5_17_1_1.F... Compiling eomccsdtq_density1_5_17_1_2.F... Compiling eomccsdtq_density1_5_17_2.F... Compiling eomccsdtq_density1_5_17_2_1.F... Compiling OFFSET_eomccsdtq_density1_5_17_2_1.F... Compiling eomccsdtq_density1_6.F... Compiling eomccsdtq_density1_6_1.F... Compiling OFFSET_eomccsdtq_density1_6_1.F... Compiling eomccsdtq_density1_6_2.F... 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Compiling OFFSET_eomccsdtq_y4_15_2_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eomccsdtq_x1.o eomccsdtq_x2.o eomccsdtq_x3.o eomccsdtq_x4.o eomccsdtq_y1.o eomccsdtq_y2.o eomccsdtq_y3.o eomccsdtq_y4.o eomccsdtq_density1.o eomccsdtq_denominator.o eomccsdtq_density1_1.o eomccsdtq_density1_1_1.o OFFSET_eomccsdtq_density1_1_1.o eomccsdtq_density1_1_2.o eomccsdtq_density1_1_3.o eomccsdtq_density1_1_4.o eomccsdtq_density1_2.o eomccsdtq_density1_2_1.o OFFSET_eomccsdtq_density1_2_1.o eomccsdtq_density1_2_2.o eomccsdtq_density1_2_2_1.o OFFSET_eomccsdtq_density1_2_2_1.o eomccsdtq_density1_3.o eomccsdtq_density1_3_1.o OFFSET_eomccsdtq_density1_3_1.o eomccsdtq_density1_3_2.o eomccsdtq_density1_3_3.o eomccsdtq_density1_3_4.o eomccsdtq_density1_3_5.o eomccsdtq_density1_3_5_1.o OFFSET_eomccsdtq_density1_3_5_1.o eomccsdtq_density1_3_5_2.o eomccsdtq_density1_3_5_3.o eomccsdtq_density1_3_5_4.o eomccsdtq_density1_3_6.o eomccsdtq_density1_3_6_1.o OFFSET_eomccsdtq_density1_3_6_1.o eomccsdtq_density1_3_6_2.o eomccsdtq_density1_3_6_3.o eomccsdtq_density1_3_7.o eomccsdtq_density1_3_7_1.o OFFSET_eomccsdtq_density1_3_7_1.o eomccsdtq_density1_3_7_2.o eomccsdtq_density1_3_8.o eomccsdtq_density1_3_8_1.o OFFSET_eomccsdtq_density1_3_8_1.o eomccsdtq_density1_4.o eomccsdtq_density1_4_1.o OFFSET_eomccsdtq_density1_4_1.o eomccsdtq_density1_4_2.o eomccsdtq_density1_4_2_1.o OFFSET_eomccsdtq_density1_4_2_1.o eomccsdtq_density1_5.o eomccsdtq_density1_5_1.o OFFSET_eomccsdtq_density1_5_1.o eomccsdtq_density1_5_2.o eomccsdtq_density1_5_3.o eomccsdtq_density1_5_4.o eomccsdtq_density1_5_4_1.o OFFSET_eomccsdtq_density1_5_4_1.o eomccsdtq_density1_5_4_2.o eomccsdtq_density1_5_4_3.o eomccsdtq_density1_5_4_4.o eomccsdtq_density1_5_4_5.o eomccsdtq_density1_5_4_5_1.o OFFSET_eomccsdtq_density1_5_4_5_1.o eomccsdtq_density1_5_4_5_2.o eomccsdtq_density1_5_4_5_3.o eomccsdtq_density1_5_4_5_4.o eomccsdtq_density1_5_4_6.o eomccsdtq_density1_5_4_6_1.o OFFSET_eomccsdtq_density1_5_4_6_1.o eomccsdtq_density1_5_4_6_2.o eomccsdtq_density1_5_4_6_3.o eomccsdtq_density1_5_4_7.o eomccsdtq_density1_5_4_7_1.o OFFSET_eomccsdtq_density1_5_4_7_1.o eomccsdtq_density1_5_4_7_2.o eomccsdtq_density1_5_4_8.o eomccsdtq_density1_5_4_8_1.o OFFSET_eomccsdtq_density1_5_4_8_1.o eomccsdtq_density1_5_5.o eomccsdtq_density1_5_5_1.o OFFSET_eomccsdtq_density1_5_5_1.o eomccsdtq_density1_5_5_2.o eomccsdtq_density1_5_5_3.o eomccsdtq_density1_5_5_4.o eomccsdtq_density1_5_6.o eomccsdtq_density1_5_6_1.o OFFSET_eomccsdtq_density1_5_6_1.o eomccsdtq_density1_5_6_2.o eomccsdtq_density1_5_6_3.o eomccsdtq_density1_5_6_4.o eomccsdtq_density1_5_7.o eomccsdtq_density1_5_7_1.o OFFSET_eomccsdtq_density1_5_7_1.o eomccsdtq_density1_5_7_2.o eomccsdtq_density1_5_7_3.o eomccsdtq_density1_5_8.o eomccsdtq_density1_5_8_1.o OFFSET_eomccsdtq_density1_5_8_1.o eomccsdtq_density1_5_8_2.o eomccsdtq_density1_5_9.o eomccsdtq_density1_5_9_1.o OFFSET_eomccsdtq_density1_5_9_1.o eomccsdtq_density1_5_10.o eomccsdtq_density1_5_10_1.o OFFSET_eomccsdtq_density1_5_10_1.o eomccsdtq_density1_5_10_2.o eomccsdtq_density1_5_10_3.o eomccsdtq_density1_5_10_4.o eomccsdtq_density1_5_11.o eomccsdtq_density1_5_11_1.o OFFSET_eomccsdtq_density1_5_11_1.o eomccsdtq_density1_5_11_2.o eomccsdtq_density1_5_11_3.o eomccsdtq_density1_5_11_4.o eomccsdtq_density1_5_11_4_1.o OFFSET_eomccsdtq_density1_5_11_4_1.o eomccsdtq_density1_5_11_4_1_1.o OFFSET_eomccsdtq_density1_5_11_4_1_1.o eomccsdtq_density1_5_11_4_1_2.o eomccsdtq_density1_5_12.o eomccsdtq_density1_5_12_1.o OFFSET_eomccsdtq_density1_5_12_1.o eomccsdtq_density1_5_12_2.o eomccsdtq_density1_5_12_3.o eomccsdtq_density1_5_12_3_1.o OFFSET_eomccsdtq_density1_5_12_3_1.o eomccsdtq_density1_5_12_3_2.o eomccsdtq_density1_5_12_3_2_1.o OFFSET_eomccsdtq_density1_5_12_3_2_1.o eomccsdtq_density1_5_12_3_2_2.o eomccsdtq_density1_5_12_3_3.o eomccsdtq_density1_5_12_4.o eomccsdtq_density1_5_12_4_1.o OFFSET_eomccsdtq_density1_5_12_4_1.o eomccsdtq_density1_5_12_4_2.o eomccsdtq_density1_5_12_5.o eomccsdtq_density1_5_12_5_1.o OFFSET_eomccsdtq_density1_5_12_5_1.o eomccsdtq_density1_5_13.o eomccsdtq_density1_5_13_1.o OFFSET_eomccsdtq_density1_5_13_1.o eomccsdtq_density1_5_13_2.o eomccsdtq_density1_5_14.o eomccsdtq_density1_5_14_1.o OFFSET_eomccsdtq_density1_5_14_1.o eomccsdtq_density1_5_14_2.o eomccsdtq_density1_5_15.o eomccsdtq_density1_5_15_1.o OFFSET_eomccsdtq_density1_5_15_1.o eomccsdtq_density1_5_16.o eomccsdtq_density1_5_16_1.o OFFSET_eomccsdtq_density1_5_16_1.o eomccsdtq_density1_5_17.o eomccsdtq_density1_5_17_1.o OFFSET_eomccsdtq_density1_5_17_1.o eomccsdtq_density1_5_17_1_1.o OFFSET_eomccsdtq_density1_5_17_1_1.o eomccsdtq_density1_5_17_1_2.o eomccsdtq_density1_5_17_2.o eomccsdtq_density1_5_17_2_1.o OFFSET_eomccsdtq_density1_5_17_2_1.o eomccsdtq_density1_6.o eomccsdtq_density1_6_1.o OFFSET_eomccsdtq_density1_6_1.o eomccsdtq_density1_6_2.o eomccsdtq_density1_6_3.o eomccsdtq_density1_6_4.o eomccsdtq_density1_6_4_1.o OFFSET_eomccsdtq_density1_6_4_1.o eomccsdtq_density1_6_4_2.o eomccsdtq_density1_6_4_3.o eomccsdtq_density1_6_5.o eomccsdtq_density1_6_5_1.o OFFSET_eomccsdtq_density1_6_5_1.o eomccsdtq_density1_6_5_2.o eomccsdtq_density1_6_5_3.o eomccsdtq_density1_6_6.o eomccsdtq_density1_6_6_1.o OFFSET_eomccsdtq_density1_6_6_1.o eomccsdtq_density1_6_6_2.o eomccsdtq_density1_6_7.o eomccsdtq_density1_6_7_1.o OFFSET_eomccsdtq_density1_6_7_1.o eomccsdtq_x2_1.o eomccsdtq_x2_1_1.o OFFSET_eomccsdtq_x2_1_1.o eomccsdtq_x2_1_2.o eomccsdtq_x2_1_2_1.o OFFSET_eomccsdtq_x2_1_2_1.o eomccsdtq_x2_1_2_2.o eomccsdtq_x2_1_3.o eomccsdtq_x2_1_3_1.o OFFSET_eomccsdtq_x2_1_3_1.o eomccsdtq_x2_1_3_2.o eomccsdtq_x2_1_4.o eomccsdtq_x2_1_4_1.o OFFSET_eomccsdtq_x2_1_4_1.o eomccsdtq_x2_1_4_2.o eomccsdtq_x2_1_5.o eomccsdtq_x2_1_6.o eomccsdtq_x2_2.o eomccsdtq_x2_3.o eomccsdtq_x2_3_1.o OFFSET_eomccsdtq_x2_3_1.o eomccsdtq_x2_3_2.o eomccsdtq_x2_3_2_1.o OFFSET_eomccsdtq_x2_3_2_1.o eomccsdtq_x2_3_2_2.o eomccsdtq_x2_3_3.o eomccsdtq_x2_3_4.o eomccsdtq_x2_4.o eomccsdtq_x2_4_1.o OFFSET_eomccsdtq_x2_4_1.o eomccsdtq_x2_4_2.o eomccsdtq_x2_4_3.o eomccsdtq_x2_5.o eomccsdtq_x2_5_1.o OFFSET_eomccsdtq_x2_5_1.o eomccsdtq_x2_5_2.o eomccsdtq_x2_5_2_1.o OFFSET_eomccsdtq_x2_5_2_1.o eomccsdtq_x2_5_2_2.o eomccsdtq_x2_5_3.o eomccsdtq_x2_6.o eomccsdtq_x2_6_1.o OFFSET_eomccsdtq_x2_6_1.o eomccsdtq_x2_6_2.o eomccsdtq_x2_7.o eomccsdtq_x2_8.o eomccsdtq_x2_8_1.o OFFSET_eomccsdtq_x2_8_1.o eomccsdtq_x2_8_2.o eomccsdtq_x2_9.o eomccsdtq_x2_9_1.o OFFSET_eomccsdtq_x2_9_1.o eomccsdtq_x2_9_2.o eomccsdtq_x2_10.o eomccsdtq_x2_11.o eomccsdtq_x2_12.o eomccsdtq_x2_12_1.o OFFSET_eomccsdtq_x2_12_1.o eomccsdtq_x2_12_1_1.o OFFSET_eomccsdtq_x2_12_1_1.o eomccsdtq_x2_12_1_2.o eomccsdtq_x2_12_1_2_1.o OFFSET_eomccsdtq_x2_12_1_2_1.o eomccsdtq_x2_12_1_2_2.o eomccsdtq_x2_12_1_3.o eomccsdtq_x2_12_2.o eomccsdtq_x2_12_3.o eomccsdtq_x2_12_3_1.o OFFSET_eomccsdtq_x2_12_3_1.o eomccsdtq_x2_12_3_2.o eomccsdtq_x2_12_4.o eomccsdtq_x2_12_4_1.o OFFSET_eomccsdtq_x2_12_4_1.o eomccsdtq_x2_12_4_2.o eomccsdtq_x2_12_5.o eomccsdtq_x2_12_6.o eomccsdtq_x2_12_7.o eomccsdtq_x2_12_7_1.o OFFSET_eomccsdtq_x2_12_7_1.o eomccsdtq_x2_12_7_2.o eomccsdtq_x2_12_7_3.o eomccsdtq_x2_12_7_3_1.o OFFSET_eomccsdtq_x2_12_7_3_1.o eomccsdtq_x2_12_8.o eomccsdtq_x2_12_8_1.o OFFSET_eomccsdtq_x2_12_8_1.o eomccsdtq_x2_12_9.o eomccsdtq_x2_12_9_1.o OFFSET_eomccsdtq_x2_12_9_1.o eomccsdtq_x2_12_10.o eomccsdtq_x2_12_10_1.o OFFSET_eomccsdtq_x2_12_10_1.o eomccsdtq_x2_13.o eomccsdtq_x2_13_1.o OFFSET_eomccsdtq_x2_13_1.o eomccsdtq_x2_14.o eomccsdtq_x2_14_1.o OFFSET_eomccsdtq_x2_14_1.o eomccsdtq_x2_14_1_1.o OFFSET_eomccsdtq_x2_14_1_1.o eomccsdtq_x2_14_1_2.o eomccsdtq_x2_14_2.o eomccsdtq_x2_14_3.o eomccsdtq_x2_14_4.o eomccsdtq_x2_14_4_1.o OFFSET_eomccsdtq_x2_14_4_1.o eomccsdtq_x2_15.o eomccsdtq_x2_15_1.o OFFSET_eomccsdtq_x2_15_1.o eomccsdtq_x2_15_2.o eomccsdtq_x2_15_3.o eomccsdtq_x2_15_3_1.o OFFSET_eomccsdtq_x2_15_3_1.o eomccsdtq_x2_16.o eomccsdtq_x2_16_1.o OFFSET_eomccsdtq_x2_16_1.o eomccsdtq_x2_16_2.o eomccsdtq_x2_17.o eomccsdtq_x2_17_1.o OFFSET_eomccsdtq_x2_17_1.o eomccsdtq_x2_17_2.o eomccsdtq_x2_18.o eomccsdtq_x2_18_1.o OFFSET_eomccsdtq_x2_18_1.o eomccsdtq_x2_19.o eomccsdtq_x2_19_1.o OFFSET_eomccsdtq_x2_19_1.o eomccsdtq_x3_1.o eomccsdtq_x3_1_1.o OFFSET_eomccsdtq_x3_1_1.o eomccsdtq_x3_1_2.o eomccsdtq_x3_1_2_1.o OFFSET_eomccsdtq_x3_1_2_1.o eomccsdtq_x3_1_2_2.o eomccsdtq_x3_1_2_2_1.o OFFSET_eomccsdtq_x3_1_2_2_1.o eomccsdtq_x3_1_2_2_2.o eomccsdtq_x3_1_2_3.o eomccsdtq_x3_1_3.o eomccsdtq_x3_1_3_1.o OFFSET_eomccsdtq_x3_1_3_1.o eomccsdtq_x3_1_3_2.o eomccsdtq_x3_1_4.o eomccsdtq_x3_1_4_1.o OFFSET_eomccsdtq_x3_1_4_1.o eomccsdtq_x3_1_4_2.o eomccsdtq_x3_1_5.o eomccsdtq_x3_1_5_1.o OFFSET_eomccsdtq_x3_1_5_1.o eomccsdtq_x3_1_5_2.o eomccsdtq_x3_1_6.o eomccsdtq_x3_1_7.o eomccsdtq_x3_2.o eomccsdtq_x3_2_1.o OFFSET_eomccsdtq_x3_2_1.o eomccsdtq_x3_2_2.o eomccsdtq_x3_2_3.o eomccsdtq_x3_2_3_1.o OFFSET_eomccsdtq_x3_2_3_1.o eomccsdtq_x3_2_3_2.o eomccsdtq_x3_2_4.o eomccsdtq_x3_2_5.o eomccsdtq_x3_3.o eomccsdtq_x3_3_1.o OFFSET_eomccsdtq_x3_3_1.o eomccsdtq_x3_3_2.o eomccsdtq_x3_3_2_1.o OFFSET_eomccsdtq_x3_3_2_1.o eomccsdtq_x3_3_2_2.o eomccsdtq_x3_3_3.o eomccsdtq_x3_3_4.o eomccsdtq_x3_4.o eomccsdtq_x3_4_1.o OFFSET_eomccsdtq_x3_4_1.o eomccsdtq_x3_4_2.o eomccsdtq_x3_4_3.o eomccsdtq_x3_5.o eomccsdtq_x3_5_1.o OFFSET_eomccsdtq_x3_5_1.o eomccsdtq_x3_5_2.o eomccsdtq_x3_5_2_1.o OFFSET_eomccsdtq_x3_5_2_1.o eomccsdtq_x3_5_2_2.o eomccsdtq_x3_5_3.o eomccsdtq_x3_6.o eomccsdtq_x3_6_1.o OFFSET_eomccsdtq_x3_6_1.o eomccsdtq_x3_6_2.o eomccsdtq_x3_6_3.o eomccsdtq_x3_7.o eomccsdtq_x3_8.o eomccsdtq_x3_8_1.o OFFSET_eomccsdtq_x3_8_1.o eomccsdtq_x3_8_2.o eomccsdtq_x3_9.o eomccsdtq_x3_9_1.o OFFSET_eomccsdtq_x3_9_1.o eomccsdtq_x3_9_2.o eomccsdtq_x3_10.o eomccsdtq_x3_11.o eomccsdtq_x3_11_1.o OFFSET_eomccsdtq_x3_11_1.o eomccsdtq_x3_11_1_1.o OFFSET_eomccsdtq_x3_11_1_1.o eomccsdtq_x3_11_1_2.o eomccsdtq_x3_11_1_2_1.o OFFSET_eomccsdtq_x3_11_1_2_1.o eomccsdtq_x3_11_1_2_2.o eomccsdtq_x3_11_1_3.o eomccsdtq_x3_11_1_4.o eomccsdtq_x3_11_2.o eomccsdtq_x3_11_2_1.o OFFSET_eomccsdtq_x3_11_2_1.o eomccsdtq_x3_11_2_2.o eomccsdtq_x3_11_3.o eomccsdtq_x3_11_3_1.o OFFSET_eomccsdtq_x3_11_3_1.o eomccsdtq_x3_11_3_2.o eomccsdtq_x3_11_4.o eomccsdtq_x3_11_5.o eomccsdtq_x3_11_6.o eomccsdtq_x3_11_6_1.o OFFSET_eomccsdtq_x3_11_6_1.o eomccsdtq_x3_11_7.o eomccsdtq_x3_11_7_1.o OFFSET_eomccsdtq_x3_11_7_1.o eomccsdtq_x3_11_7_2.o eomccsdtq_x3_11_7_3.o eomccsdtq_x3_11_7_3_1.o OFFSET_eomccsdtq_x3_11_7_3_1.o eomccsdtq_x3_11_7_4.o eomccsdtq_x3_11_7_4_1.o OFFSET_eomccsdtq_x3_11_7_4_1.o eomccsdtq_x3_11_8.o eomccsdtq_x3_11_8_1.o OFFSET_eomccsdtq_x3_11_8_1.o eomccsdtq_x3_11_9.o eomccsdtq_x3_11_9_1.o OFFSET_eomccsdtq_x3_11_9_1.o eomccsdtq_x3_11_10.o eomccsdtq_x3_11_10_1.o OFFSET_eomccsdtq_x3_11_10_1.o eomccsdtq_x3_12.o eomccsdtq_x3_12_1.o OFFSET_eomccsdtq_x3_12_1.o eomccsdtq_x3_12_1_1.o OFFSET_eomccsdtq_x3_12_1_1.o eomccsdtq_x3_12_1_2.o eomccsdtq_x3_12_1_2_1.o OFFSET_eomccsdtq_x3_12_1_2_1.o eomccsdtq_x3_12_1_2_2.o eomccsdtq_x3_12_1_3.o eomccsdtq_x3_12_2.o eomccsdtq_x3_12_3.o eomccsdtq_x3_12_3_1.o OFFSET_eomccsdtq_x3_12_3_1.o eomccsdtq_x3_12_3_2.o eomccsdtq_x3_12_4.o eomccsdtq_x3_12_4_1.o OFFSET_eomccsdtq_x3_12_4_1.o eomccsdtq_x3_12_4_2.o eomccsdtq_x3_12_5.o eomccsdtq_x3_12_6.o eomccsdtq_x3_12_7.o eomccsdtq_x3_12_7_1.o OFFSET_eomccsdtq_x3_12_7_1.o eomccsdtq_x3_12_7_2.o eomccsdtq_x3_12_7_3.o eomccsdtq_x3_12_7_3_1.o OFFSET_eomccsdtq_x3_12_7_3_1.o eomccsdtq_x3_12_8.o eomccsdtq_x3_12_8_1.o OFFSET_eomccsdtq_x3_12_8_1.o eomccsdtq_x3_12_9.o eomccsdtq_x3_12_9_1.o OFFSET_eomccsdtq_x3_12_9_1.o eomccsdtq_x3_12_10.o eomccsdtq_x3_12_10_1.o OFFSET_eomccsdtq_x3_12_10_1.o eomccsdtq_x3_13.o eomccsdtq_x3_13_1.o OFFSET_eomccsdtq_x3_13_1.o eomccsdtq_x3_13_1_1.o OFFSET_eomccsdtq_x3_13_1_1.o eomccsdtq_x3_13_1_2.o eomccsdtq_x3_13_1_3.o eomccsdtq_x3_13_1_4.o eomccsdtq_x3_13_2.o eomccsdtq_x3_13_2_1.o OFFSET_eomccsdtq_x3_13_2_1.o eomccsdtq_x3_13_2_2.o eomccsdtq_x3_13_3.o eomccsdtq_x3_13_3_1.o OFFSET_eomccsdtq_x3_13_3_1.o eomccsdtq_x3_13_3_2.o eomccsdtq_x3_13_4.o eomccsdtq_x3_13_5.o eomccsdtq_x3_14.o eomccsdtq_x3_14_1.o OFFSET_eomccsdtq_x3_14_1.o eomccsdtq_x3_14_2.o eomccsdtq_x3_14_2_1.o OFFSET_eomccsdtq_x3_14_2_1.o eomccsdtq_x3_14_2_2.o eomccsdtq_x3_14_3.o eomccsdtq_x3_14_4.o eomccsdtq_x3_14_5.o eomccsdtq_x3_14_5_1.o OFFSET_eomccsdtq_x3_14_5_1.o eomccsdtq_x3_15.o eomccsdtq_x3_15_1.o OFFSET_eomccsdtq_x3_15_1.o eomccsdtq_x3_16.o eomccsdtq_x3_16_1.o OFFSET_eomccsdtq_x3_16_1.o eomccsdtq_x3_16_1_1.o OFFSET_eomccsdtq_x3_16_1_1.o eomccsdtq_x3_16_1_2.o eomccsdtq_x3_16_2.o eomccsdtq_x3_16_3.o eomccsdtq_x3_16_4.o eomccsdtq_x3_16_4_1.o OFFSET_eomccsdtq_x3_16_4_1.o eomccsdtq_x3_17.o eomccsdtq_x3_17_1.o OFFSET_eomccsdtq_x3_17_1.o eomccsdtq_x3_17_2.o eomccsdtq_x3_17_3.o eomccsdtq_x3_17_3_1.o OFFSET_eomccsdtq_x3_17_3_1.o eomccsdtq_x3_18.o eomccsdtq_x3_18_1.o OFFSET_eomccsdtq_x3_18_1.o eomccsdtq_x3_18_2.o eomccsdtq_x3_19.o eomccsdtq_x3_19_1.o OFFSET_eomccsdtq_x3_19_1.o eomccsdtq_x3_19_2.o eomccsdtq_x3_20.o eomccsdtq_x3_20_1.o OFFSET_eomccsdtq_x3_20_1.o eomccsdtq_x3_21.o eomccsdtq_x3_21_1.o OFFSET_eomccsdtq_x3_21_1.o eomccsdtq_x3_22.o eomccsdtq_x3_22_1.o OFFSET_eomccsdtq_x3_22_1.o eomccsdtq_x4_1.o eomccsdtq_x4_1_1.o OFFSET_eomccsdtq_x4_1_1.o eomccsdtq_x4_1_2.o eomccsdtq_x4_1_2_1.o OFFSET_eomccsdtq_x4_1_2_1.o eomccsdtq_x4_1_2_2.o eomccsdtq_x4_1_2_2_1.o OFFSET_eomccsdtq_x4_1_2_2_1.o eomccsdtq_x4_1_2_2_2.o eomccsdtq_x4_1_2_3.o eomccsdtq_x4_1_3.o eomccsdtq_x4_1_3_1.o OFFSET_eomccsdtq_x4_1_3_1.o eomccsdtq_x4_1_3_2.o eomccsdtq_x4_1_4.o eomccsdtq_x4_1_4_1.o OFFSET_eomccsdtq_x4_1_4_1.o eomccsdtq_x4_1_4_2.o eomccsdtq_x4_1_5.o eomccsdtq_x4_1_5_1.o OFFSET_eomccsdtq_x4_1_5_1.o eomccsdtq_x4_1_5_2.o eomccsdtq_x4_1_6.o eomccsdtq_x4_1_7.o eomccsdtq_x4_2.o eomccsdtq_x4_2_1.o OFFSET_eomccsdtq_x4_2_1.o eomccsdtq_x4_2_2.o eomccsdtq_x4_2_3.o eomccsdtq_x4_2_3_1.o OFFSET_eomccsdtq_x4_2_3_1.o eomccsdtq_x4_2_3_2.o eomccsdtq_x4_2_4.o eomccsdtq_x4_2_5.o eomccsdtq_x4_3.o eomccsdtq_x4_3_1.o OFFSET_eomccsdtq_x4_3_1.o eomccsdtq_x4_3_2.o eomccsdtq_x4_3_2_1.o OFFSET_eomccsdtq_x4_3_2_1.o eomccsdtq_x4_3_2_2.o eomccsdtq_x4_3_3.o eomccsdtq_x4_3_4.o eomccsdtq_x4_4.o eomccsdtq_x4_4_1.o OFFSET_eomccsdtq_x4_4_1.o eomccsdtq_x4_4_2.o eomccsdtq_x4_4_3.o eomccsdtq_x4_5.o eomccsdtq_x4_5_1.o OFFSET_eomccsdtq_x4_5_1.o eomccsdtq_x4_5_2.o eomccsdtq_x4_5_2_1.o OFFSET_eomccsdtq_x4_5_2_1.o eomccsdtq_x4_5_2_2.o eomccsdtq_x4_5_3.o eomccsdtq_x4_6.o eomccsdtq_x4_6_1.o OFFSET_eomccsdtq_x4_6_1.o eomccsdtq_x4_6_2.o eomccsdtq_x4_6_3.o eomccsdtq_x4_7.o eomccsdtq_x4_8.o eomccsdtq_x4_8_1.o OFFSET_eomccsdtq_x4_8_1.o eomccsdtq_x4_8_1_1.o OFFSET_eomccsdtq_x4_8_1_1.o eomccsdtq_x4_8_1_2.o eomccsdtq_x4_8_1_2_1.o OFFSET_eomccsdtq_x4_8_1_2_1.o eomccsdtq_x4_8_1_2_2.o eomccsdtq_x4_8_1_3.o eomccsdtq_x4_8_1_4.o eomccsdtq_x4_8_2.o eomccsdtq_x4_8_2_1.o OFFSET_eomccsdtq_x4_8_2_1.o eomccsdtq_x4_8_2_2.o eomccsdtq_x4_8_3.o eomccsdtq_x4_8_3_1.o OFFSET_eomccsdtq_x4_8_3_1.o eomccsdtq_x4_8_3_2.o eomccsdtq_x4_8_4.o eomccsdtq_x4_8_5.o eomccsdtq_x4_8_5_1.o OFFSET_eomccsdtq_x4_8_5_1.o eomccsdtq_x4_8_6.o eomccsdtq_x4_8_6_1.o OFFSET_eomccsdtq_x4_8_6_1.o eomccsdtq_x4_8_6_1_1.o OFFSET_eomccsdtq_x4_8_6_1_1.o eomccsdtq_x4_8_6_1_2.o eomccsdtq_x4_8_6_2.o eomccsdtq_x4_8_7.o eomccsdtq_x4_8_7_1.o OFFSET_eomccsdtq_x4_8_7_1.o eomccsdtq_x4_8_7_2.o eomccsdtq_x4_8_7_3.o eomccsdtq_x4_8_7_3_1.o OFFSET_eomccsdtq_x4_8_7_3_1.o eomccsdtq_x4_8_7_4.o eomccsdtq_x4_8_7_4_1.o OFFSET_eomccsdtq_x4_8_7_4_1.o eomccsdtq_x4_8_8.o eomccsdtq_x4_8_8_1.o OFFSET_eomccsdtq_x4_8_8_1.o eomccsdtq_x4_8_9.o eomccsdtq_x4_8_9_1.o OFFSET_eomccsdtq_x4_8_9_1.o eomccsdtq_x4_8_10.o eomccsdtq_x4_8_10_1.o OFFSET_eomccsdtq_x4_8_10_1.o eomccsdtq_x4_8_11.o eomccsdtq_x4_8_11_1.o OFFSET_eomccsdtq_x4_8_11_1.o eomccsdtq_x4_9.o eomccsdtq_x4_9_1.o OFFSET_eomccsdtq_x4_9_1.o eomccsdtq_x4_9_1_1.o OFFSET_eomccsdtq_x4_9_1_1.o eomccsdtq_x4_9_1_2.o eomccsdtq_x4_9_1_2_1.o OFFSET_eomccsdtq_x4_9_1_2_1.o eomccsdtq_x4_9_1_2_2.o eomccsdtq_x4_9_1_3.o eomccsdtq_x4_9_2.o eomccsdtq_x4_9_2_1.o OFFSET_eomccsdtq_x4_9_2_1.o eomccsdtq_x4_9_2_2.o eomccsdtq_x4_9_2_2_1.o OFFSET_eomccsdtq_x4_9_2_2_1.o eomccsdtq_x4_9_2_2_2.o eomccsdtq_x4_9_2_3.o eomccsdtq_x4_9_2_4.o eomccsdtq_x4_9_3.o eomccsdtq_x4_9_3_1.o OFFSET_eomccsdtq_x4_9_3_1.o eomccsdtq_x4_9_3_2.o eomccsdtq_x4_9_4.o eomccsdtq_x4_9_4_1.o OFFSET_eomccsdtq_x4_9_4_1.o eomccsdtq_x4_9_4_2.o eomccsdtq_x4_9_5.o eomccsdtq_x4_9_5_1.o OFFSET_eomccsdtq_x4_9_5_1.o eomccsdtq_x4_9_5_2.o eomccsdtq_x4_9_6.o eomccsdtq_x4_9_7.o eomccsdtq_x4_9_7_1.o OFFSET_eomccsdtq_x4_9_7_1.o eomccsdtq_x4_9_7_1_1.o OFFSET_eomccsdtq_x4_9_7_1_1.o eomccsdtq_x4_9_7_1_2.o eomccsdtq_x4_9_7_2.o eomccsdtq_x4_9_7_3.o eomccsdtq_x4_9_7_4.o eomccsdtq_x4_9_7_4_1.o OFFSET_eomccsdtq_x4_9_7_4_1.o eomccsdtq_x4_9_8.o eomccsdtq_x4_9_8_1.o OFFSET_eomccsdtq_x4_9_8_1.o eomccsdtq_x4_9_8_2.o eomccsdtq_x4_9_8_3.o eomccsdtq_x4_9_8_3_1.o OFFSET_eomccsdtq_x4_9_8_3_1.o eomccsdtq_x4_9_9.o eomccsdtq_x4_9_9_1.o OFFSET_eomccsdtq_x4_9_9_1.o eomccsdtq_x4_9_10.o eomccsdtq_x4_9_10_1.o OFFSET_eomccsdtq_x4_9_10_1.o eomccsdtq_x4_9_11.o eomccsdtq_x4_9_11_1.o OFFSET_eomccsdtq_x4_9_11_1.o eomccsdtq_x4_10.o eomccsdtq_x4_10_1.o OFFSET_eomccsdtq_x4_10_1.o eomccsdtq_x4_10_1_1.o OFFSET_eomccsdtq_x4_10_1_1.o eomccsdtq_x4_10_1_2.o eomccsdtq_x4_10_1_2_1.o OFFSET_eomccsdtq_x4_10_1_2_1.o eomccsdtq_x4_10_1_2_2.o eomccsdtq_x4_10_1_3.o eomccsdtq_x4_10_1_4.o eomccsdtq_x4_10_2.o eomccsdtq_x4_10_2_1.o OFFSET_eomccsdtq_x4_10_2_1.o eomccsdtq_x4_10_2_2.o eomccsdtq_x4_10_3.o eomccsdtq_x4_10_3_1.o OFFSET_eomccsdtq_x4_10_3_1.o eomccsdtq_x4_10_3_2.o eomccsdtq_x4_10_4.o eomccsdtq_x4_10_4_1.o OFFSET_eomccsdtq_x4_10_4_1.o eomccsdtq_x4_10_4_2.o eomccsdtq_x4_10_5.o eomccsdtq_x4_11.o eomccsdtq_x4_11_1.o OFFSET_eomccsdtq_x4_11_1.o eomccsdtq_x4_11_1_1.o OFFSET_eomccsdtq_x4_11_1_1.o eomccsdtq_x4_11_1_2.o eomccsdtq_x4_11_2.o eomccsdtq_x4_11_2_1.o OFFSET_eomccsdtq_x4_11_2_1.o eomccsdtq_x4_11_2_2.o eomccsdtq_x4_11_3.o eomccsdtq_x4_11_4.o eomccsdtq_x4_11_5.o eomccsdtq_x4_11_5_1.o OFFSET_eomccsdtq_x4_11_5_1.o eomccsdtq_x4_11_6.o eomccsdtq_x4_11_6_1.o OFFSET_eomccsdtq_x4_11_6_1.o eomccsdtq_x4_12.o eomccsdtq_x4_12_1.o OFFSET_eomccsdtq_x4_12_1.o eomccsdtq_x4_13.o eomccsdtq_x4_13_1.o OFFSET_eomccsdtq_x4_13_1.o eomccsdtq_x4_13_1_1.o OFFSET_eomccsdtq_x4_13_1_1.o eomccsdtq_x4_13_1_2.o eomccsdtq_x4_13_1_2_1.o OFFSET_eomccsdtq_x4_13_1_2_1.o eomccsdtq_x4_13_1_2_2.o eomccsdtq_x4_13_1_3.o eomccsdtq_x4_13_2.o eomccsdtq_x4_13_3.o eomccsdtq_x4_13_3_1.o OFFSET_eomccsdtq_x4_13_3_1.o eomccsdtq_x4_13_3_2.o eomccsdtq_x4_13_4.o eomccsdtq_x4_13_4_1.o OFFSET_eomccsdtq_x4_13_4_1.o eomccsdtq_x4_13_4_2.o eomccsdtq_x4_13_5.o eomccsdtq_x4_13_6.o eomccsdtq_x4_13_7.o eomccsdtq_x4_13_7_1.o OFFSET_eomccsdtq_x4_13_7_1.o eomccsdtq_x4_13_7_2.o eomccsdtq_x4_13_7_3.o eomccsdtq_x4_13_7_3_1.o OFFSET_eomccsdtq_x4_13_7_3_1.o eomccsdtq_x4_13_8.o eomccsdtq_x4_13_8_1.o OFFSET_eomccsdtq_x4_13_8_1.o eomccsdtq_x4_13_9.o eomccsdtq_x4_13_9_1.o OFFSET_eomccsdtq_x4_13_9_1.o eomccsdtq_x4_13_10.o eomccsdtq_x4_13_10_1.o OFFSET_eomccsdtq_x4_13_10_1.o eomccsdtq_x4_14.o eomccsdtq_x4_14_1.o OFFSET_eomccsdtq_x4_14_1.o eomccsdtq_x4_14_1_1.o OFFSET_eomccsdtq_x4_14_1_1.o eomccsdtq_x4_14_1_2.o eomccsdtq_x4_14_1_3.o eomccsdtq_x4_14_1_4.o eomccsdtq_x4_14_2.o eomccsdtq_x4_14_2_1.o OFFSET_eomccsdtq_x4_14_2_1.o eomccsdtq_x4_14_2_2.o eomccsdtq_x4_14_3.o eomccsdtq_x4_14_3_1.o OFFSET_eomccsdtq_x4_14_3_1.o eomccsdtq_x4_14_3_2.o eomccsdtq_x4_14_4.o eomccsdtq_x4_14_5.o eomccsdtq_x4_14_5_1.o OFFSET_eomccsdtq_x4_14_5_1.o eomccsdtq_x4_14_5_1_1.o OFFSET_eomccsdtq_x4_14_5_1_1.o eomccsdtq_x4_14_5_1_2.o eomccsdtq_x4_14_5_2.o eomccsdtq_x4_15.o eomccsdtq_x4_15_1.o OFFSET_eomccsdtq_x4_15_1.o eomccsdtq_x4_15_2.o eomccsdtq_x4_15_2_1.o OFFSET_eomccsdtq_x4_15_2_1.o eomccsdtq_x4_15_2_2.o eomccsdtq_x4_15_3.o eomccsdtq_x4_15_4.o eomccsdtq_x4_15_5.o eomccsdtq_x4_15_5_1.o OFFSET_eomccsdtq_x4_15_5_1.o eomccsdtq_x4_16.o eomccsdtq_x4_16_1.o OFFSET_eomccsdtq_x4_16_1.o eomccsdtq_x4_16_1_1.o OFFSET_eomccsdtq_x4_16_1_1.o eomccsdtq_x4_16_1_2.o eomccsdtq_x4_16_2.o eomccsdtq_x4_16_3.o eomccsdtq_x4_17.o eomccsdtq_x4_17_1.o OFFSET_eomccsdtq_x4_17_1.o eomccsdtq_x4_18.o eomccsdtq_x4_18_1.o OFFSET_eomccsdtq_x4_18_1.o eomccsdtq_x4_19.o eomccsdtq_x4_19_1.o OFFSET_eomccsdtq_x4_19_1.o eomccsdtq_x4_20.o eomccsdtq_x4_20_1.o OFFSET_eomccsdtq_x4_20_1.o eomccsdtq_x4_20_1_1.o OFFSET_eomccsdtq_x4_20_1_1.o eomccsdtq_x4_20_1_2.o eomccsdtq_x4_20_2.o eomccsdtq_x4_20_3.o eomccsdtq_x4_20_4.o eomccsdtq_x4_20_4_1.o OFFSET_eomccsdtq_x4_20_4_1.o eomccsdtq_x4_21.o eomccsdtq_x4_21_1.o OFFSET_eomccsdtq_x4_21_1.o eomccsdtq_x4_21_2.o eomccsdtq_x4_21_3.o eomccsdtq_x4_21_3_1.o OFFSET_eomccsdtq_x4_21_3_1.o eomccsdtq_x4_22.o eomccsdtq_x4_22_1.o OFFSET_eomccsdtq_x4_22_1.o eomccsdtq_x4_22_2.o eomccsdtq_x4_23.o eomccsdtq_x4_23_1.o OFFSET_eomccsdtq_x4_23_1.o eomccsdtq_x4_23_2.o eomccsdtq_x4_24.o eomccsdtq_x4_24_1.o OFFSET_eomccsdtq_x4_24_1.o eomccsdtq_y1_1.o eomccsdtq_y1_1_1.o OFFSET_eomccsdtq_y1_1_1.o eomccsdtq_y1_1_2.o eomccsdtq_y1_1_2_1.o OFFSET_eomccsdtq_y1_1_2_1.o eomccsdtq_y1_1_2_2.o eomccsdtq_y1_1_3.o eomccsdtq_y1_1_4.o eomccsdtq_y1_2.o eomccsdtq_y1_2_1.o OFFSET_eomccsdtq_y1_2_1.o eomccsdtq_y1_2_2.o eomccsdtq_y1_2_3.o eomccsdtq_y1_2_3_1.o OFFSET_eomccsdtq_y1_2_3_1.o eomccsdtq_y1_3.o eomccsdtq_y1_4.o eomccsdtq_y1_4_1.o OFFSET_eomccsdtq_y1_4_1.o eomccsdtq_y1_4_2.o eomccsdtq_y1_4_2_1.o OFFSET_eomccsdtq_y1_4_2_1.o eomccsdtq_y1_4_2_2.o eomccsdtq_y1_4_2_2_1.o OFFSET_eomccsdtq_y1_4_2_2_1.o eomccsdtq_y1_4_2_2_2.o eomccsdtq_y1_4_2_3.o eomccsdtq_y1_4_2_4.o eomccsdtq_y1_4_3.o eomccsdtq_y1_4_3_1.o OFFSET_eomccsdtq_y1_4_3_1.o eomccsdtq_y1_4_3_2.o eomccsdtq_y1_4_4.o eomccsdtq_y1_4_5.o eomccsdtq_y1_4_5_1.o OFFSET_eomccsdtq_y1_4_5_1.o eomccsdtq_y1_4_5_2.o eomccsdtq_y1_4_6.o eomccsdtq_y1_4_6_1.o OFFSET_eomccsdtq_y1_4_6_1.o eomccsdtq_y1_4_6_2.o eomccsdtq_y1_4_7.o eomccsdtq_y1_4_8.o eomccsdtq_y1_5.o eomccsdtq_y1_5_1.o OFFSET_eomccsdtq_y1_5_1.o eomccsdtq_y1_5_2.o eomccsdtq_y1_5_2_1.o OFFSET_eomccsdtq_y1_5_2_1.o eomccsdtq_y1_5_2_2.o eomccsdtq_y1_5_2_2_1.o OFFSET_eomccsdtq_y1_5_2_2_1.o eomccsdtq_y1_5_2_2_2.o eomccsdtq_y1_5_2_3.o eomccsdtq_y1_5_3.o eomccsdtq_y1_5_3_1.o OFFSET_eomccsdtq_y1_5_3_1.o eomccsdtq_y1_5_3_2.o eomccsdtq_y1_5_4.o eomccsdtq_y1_5_4_1.o OFFSET_eomccsdtq_y1_5_4_1.o eomccsdtq_y1_5_4_2.o eomccsdtq_y1_5_5.o eomccsdtq_y1_5_5_1.o OFFSET_eomccsdtq_y1_5_5_1.o eomccsdtq_y1_5_5_2.o eomccsdtq_y1_5_6.o eomccsdtq_y1_5_7.o eomccsdtq_y1_6.o eomccsdtq_y1_6_1.o OFFSET_eomccsdtq_y1_6_1.o eomccsdtq_y1_6_2.o eomccsdtq_y1_7.o eomccsdtq_y1_7_1.o OFFSET_eomccsdtq_y1_7_1.o eomccsdtq_y1_7_2.o eomccsdtq_y1_7_2_1.o OFFSET_eomccsdtq_y1_7_2_1.o eomccsdtq_y1_7_2_2.o eomccsdtq_y1_7_2_2_1.o OFFSET_eomccsdtq_y1_7_2_2_1.o eomccsdtq_y1_7_2_2_2.o eomccsdtq_y1_7_2_2_2_1.o OFFSET_eomccsdtq_y1_7_2_2_2_1.o eomccsdtq_y1_7_2_2_2_2.o eomccsdtq_y1_7_2_2_3.o eomccsdtq_y1_7_2_3.o eomccsdtq_y1_7_2_3_1.o OFFSET_eomccsdtq_y1_7_2_3_1.o eomccsdtq_y1_7_2_3_2.o eomccsdtq_y1_7_2_4.o eomccsdtq_y1_7_2_5.o eomccsdtq_y1_7_2_5_1.o OFFSET_eomccsdtq_y1_7_2_5_1.o eomccsdtq_y1_7_3.o eomccsdtq_y1_7_3_1.o OFFSET_eomccsdtq_y1_7_3_1.o eomccsdtq_y1_7_3_2.o eomccsdtq_y1_7_4.o eomccsdtq_y1_7_4_1.o OFFSET_eomccsdtq_y1_7_4_1.o eomccsdtq_y1_7_4_2.o eomccsdtq_y1_7_4_2_1.o OFFSET_eomccsdtq_y1_7_4_2_1.o eomccsdtq_y1_7_5.o eomccsdtq_y1_7_5_1.o OFFSET_eomccsdtq_y1_7_5_1.o eomccsdtq_y1_7_5_2.o eomccsdtq_y1_7_5_2_1.o OFFSET_eomccsdtq_y1_7_5_2_1.o eomccsdtq_y1_7_6.o eomccsdtq_y1_7_6_1.o OFFSET_eomccsdtq_y1_7_6_1.o eomccsdtq_y1_7_6_2.o eomccsdtq_y1_7_6_2_1.o OFFSET_eomccsdtq_y1_7_6_2_1.o eomccsdtq_y1_7_6_2_2.o eomccsdtq_y1_7_6_3.o eomccsdtq_y1_7_7.o eomccsdtq_y1_7_7_1.o OFFSET_eomccsdtq_y1_7_7_1.o eomccsdtq_y1_7_7_2.o eomccsdtq_y1_7_7_3.o eomccsdtq_y1_7_8.o eomccsdtq_y1_7_9.o eomccsdtq_y1_7_9_1.o OFFSET_eomccsdtq_y1_7_9_1.o eomccsdtq_y1_7_9_2.o eomccsdtq_y1_7_10.o eomccsdtq_y1_7_10_1.o OFFSET_eomccsdtq_y1_7_10_1.o eomccsdtq_y1_7_10_2.o eomccsdtq_y1_7_11.o eomccsdtq_y1_7_12.o eomccsdtq_y1_7_13.o eomccsdtq_y1_7_13_1.o OFFSET_eomccsdtq_y1_7_13_1.o eomccsdtq_y1_7_13_2.o eomccsdtq_y1_7_13_3.o eomccsdtq_y1_7_14.o eomccsdtq_y1_7_14_1.o OFFSET_eomccsdtq_y1_7_14_1.o eomccsdtq_y1_7_14_2.o eomccsdtq_y1_7_14_3.o eomccsdtq_y1_7_15.o eomccsdtq_y1_7_15_1.o OFFSET_eomccsdtq_y1_7_15_1.o eomccsdtq_y1_7_15_2.o eomccsdtq_y1_8.o eomccsdtq_y1_8_1.o OFFSET_eomccsdtq_y1_8_1.o eomccsdtq_y1_8_2.o eomccsdtq_y1_8_3.o eomccsdtq_y1_8_4.o eomccsdtq_y1_9.o eomccsdtq_y1_9_1.o OFFSET_eomccsdtq_y1_9_1.o eomccsdtq_y1_9_2.o eomccsdtq_y1_9_3.o eomccsdtq_y1_9_4.o eomccsdtq_y1_10.o eomccsdtq_y1_10_1.o OFFSET_eomccsdtq_y1_10_1.o eomccsdtq_y1_10_2.o eomccsdtq_y1_10_3.o eomccsdtq_y1_10_4.o eomccsdtq_y1_11.o eomccsdtq_y1_11_1.o OFFSET_eomccsdtq_y1_11_1.o eomccsdtq_y1_11_2.o eomccsdtq_y1_11_3.o eomccsdtq_y1_12.o eomccsdtq_y1_12_1.o OFFSET_eomccsdtq_y1_12_1.o eomccsdtq_y1_12_2.o eomccsdtq_y1_12_3.o eomccsdtq_y1_12_4.o eomccsdtq_y1_12_4_1.o OFFSET_eomccsdtq_y1_12_4_1.o eomccsdtq_y1_12_4_2.o eomccsdtq_y1_12_4_3.o eomccsdtq_y1_12_4_4.o eomccsdtq_y1_12_5.o eomccsdtq_y1_12_5_1.o OFFSET_eomccsdtq_y1_12_5_1.o eomccsdtq_y1_12_5_2.o eomccsdtq_y1_12_5_2_1.o OFFSET_eomccsdtq_y1_12_5_2_1.o eomccsdtq_y1_12_5_2_2.o eomccsdtq_y1_12_5_3.o eomccsdtq_y1_12_6.o eomccsdtq_y1_12_6_1.o OFFSET_eomccsdtq_y1_12_6_1.o eomccsdtq_y1_12_6_2.o eomccsdtq_y1_12_7.o eomccsdtq_y1_12_7_1.o OFFSET_eomccsdtq_y1_12_7_1.o eomccsdtq_y1_13.o eomccsdtq_y1_13_1.o OFFSET_eomccsdtq_y1_13_1.o eomccsdtq_y1_13_2.o eomccsdtq_y1_13_3.o eomccsdtq_y1_13_4.o eomccsdtq_y1_13_4_1.o OFFSET_eomccsdtq_y1_13_4_1.o eomccsdtq_y1_13_4_2.o eomccsdtq_y1_13_4_3.o eomccsdtq_y1_13_4_4.o eomccsdtq_y1_13_4_4_1.o OFFSET_eomccsdtq_y1_13_4_4_1.o eomccsdtq_y1_13_4_4_2.o eomccsdtq_y1_13_4_4_3.o eomccsdtq_y1_13_4_5.o eomccsdtq_y1_13_4_5_1.o OFFSET_eomccsdtq_y1_13_4_5_1.o eomccsdtq_y1_13_4_5_1_1.o OFFSET_eomccsdtq_y1_13_4_5_1_1.o eomccsdtq_y1_13_4_5_1_2.o eomccsdtq_y1_13_4_5_1_3.o eomccsdtq_y1_13_5.o eomccsdtq_y1_13_5_1.o OFFSET_eomccsdtq_y1_13_5_1.o eomccsdtq_y1_13_6.o eomccsdtq_y1_13_6_1.o OFFSET_eomccsdtq_y1_13_6_1.o eomccsdtq_y1_13_6_2.o eomccsdtq_y1_13_6_3.o eomccsdtq_y1_13_7.o eomccsdtq_y1_13_7_1.o OFFSET_eomccsdtq_y1_13_7_1.o eomccsdtq_y1_13_7_2.o eomccsdtq_y1_13_8.o eomccsdtq_y1_13_8_1.o OFFSET_eomccsdtq_y1_13_8_1.o eomccsdtq_y1_13_9.o eomccsdtq_y1_13_9_1.o OFFSET_eomccsdtq_y1_13_9_1.o eomccsdtq_y1_13_9_2.o eomccsdtq_y1_13_10.o eomccsdtq_y1_13_10_1.o OFFSET_eomccsdtq_y1_13_10_1.o eomccsdtq_y1_13_10_1_1.o OFFSET_eomccsdtq_y1_13_10_1_1.o eomccsdtq_y1_13_10_1_2.o eomccsdtq_y1_13_10_2.o eomccsdtq_y1_13_11.o eomccsdtq_y1_13_11_1.o OFFSET_eomccsdtq_y1_13_11_1.o eomccsdtq_y1_13_12.o eomccsdtq_y1_13_12_1.o OFFSET_eomccsdtq_y1_13_12_1.o eomccsdtq_y1_13_12_1_1.o OFFSET_eomccsdtq_y1_13_12_1_1.o eomccsdtq_y1_13_12_2.o eomccsdtq_y1_13_12_2_1.o OFFSET_eomccsdtq_y1_13_12_2_1.o eomccsdtq_y1_13_13.o eomccsdtq_y1_13_13_1.o OFFSET_eomccsdtq_y1_13_13_1.o eomccsdtq_y1_13_13_1_1.o OFFSET_eomccsdtq_y1_13_13_1_1.o eomccsdtq_y1_13_13_1_1_1.o OFFSET_eomccsdtq_y1_13_13_1_1_1.o eomccsdtq_y1_13_13_1_1_2.o eomccsdtq_y1_14.o eomccsdtq_y1_14_1.o OFFSET_eomccsdtq_y1_14_1.o eomccsdtq_y1_14_2.o eomccsdtq_y1_14_3.o eomccsdtq_y1_14_4.o eomccsdtq_y1_14_4_1.o OFFSET_eomccsdtq_y1_14_4_1.o eomccsdtq_y1_14_5.o eomccsdtq_y1_14_5_1.o OFFSET_eomccsdtq_y1_14_5_1.o eomccsdtq_y1_14_5_2.o eomccsdtq_y1_14_6.o eomccsdtq_y1_14_6_1.o OFFSET_eomccsdtq_y1_14_6_1.o eomccsdtq_y1_14_6_1_1.o OFFSET_eomccsdtq_y1_14_6_1_1.o eomccsdtq_y1_14_6_1_2.o eomccsdtq_y1_14_6_1_3.o eomccsdtq_y1_15.o eomccsdtq_y1_15_1.o OFFSET_eomccsdtq_y1_15_1.o eomccsdtq_y1_15_2.o eomccsdtq_y1_15_3.o eomccsdtq_y1_15_4.o eomccsdtq_y1_15_4_1.o OFFSET_eomccsdtq_y1_15_4_1.o eomccsdtq_y1_15_4_2.o eomccsdtq_y1_15_4_3.o eomccsdtq_y1_15_5.o eomccsdtq_y1_15_5_1.o OFFSET_eomccsdtq_y1_15_5_1.o eomccsdtq_y1_15_5_2.o eomccsdtq_y1_15_5_2_1.o OFFSET_eomccsdtq_y1_15_5_2_1.o eomccsdtq_y1_15_5_2_2.o eomccsdtq_y1_15_6.o eomccsdtq_y1_15_6_1.o OFFSET_eomccsdtq_y1_15_6_1.o eomccsdtq_y1_16.o eomccsdtq_y1_16_1.o OFFSET_eomccsdtq_y1_16_1.o eomccsdtq_y1_16_2.o eomccsdtq_y1_17.o eomccsdtq_y1_17_1.o OFFSET_eomccsdtq_y1_17_1.o eomccsdtq_y1_17_1_1.o OFFSET_eomccsdtq_y1_17_1_1.o eomccsdtq_y1_17_1_2.o eomccsdtq_y1_17_1_3.o eomccsdtq_y1_17_1_4.o eomccsdtq_y1_17_1_4_1.o OFFSET_eomccsdtq_y1_17_1_4_1.o eomccsdtq_y1_17_1_4_2.o eomccsdtq_y1_17_2.o eomccsdtq_y1_17_2_1.o OFFSET_eomccsdtq_y1_17_2_1.o eomccsdtq_y1_17_2_2.o eomccsdtq_y1_17_3.o eomccsdtq_y1_17_3_1.o OFFSET_eomccsdtq_y1_17_3_1.o eomccsdtq_y1_17_3_2.o eomccsdtq_y1_17_4.o eomccsdtq_y1_17_5.o eomccsdtq_y1_17_6.o eomccsdtq_y1_17_6_1.o OFFSET_eomccsdtq_y1_17_6_1.o eomccsdtq_y1_17_7.o eomccsdtq_y1_17_7_1.o OFFSET_eomccsdtq_y1_17_7_1.o eomccsdtq_y1_17_7_1_1.o OFFSET_eomccsdtq_y1_17_7_1_1.o eomccsdtq_y1_18.o eomccsdtq_y1_18_1.o OFFSET_eomccsdtq_y1_18_1.o eomccsdtq_y1_18_2.o eomccsdtq_y1_19.o eomccsdtq_y1_19_1.o OFFSET_eomccsdtq_y1_19_1.o eomccsdtq_y1_19_1_1.o OFFSET_eomccsdtq_y1_19_1_1.o eomccsdtq_y1_19_1_2.o eomccsdtq_y1_19_1_2_1.o OFFSET_eomccsdtq_y1_19_1_2_1.o eomccsdtq_y1_19_1_2_2.o eomccsdtq_y1_19_1_2_2_1.o OFFSET_eomccsdtq_y1_19_1_2_2_1.o eomccsdtq_y1_19_1_2_2_2.o eomccsdtq_y1_19_1_3.o eomccsdtq_y1_19_1_4.o eomccsdtq_y1_19_1_4_1.o OFFSET_eomccsdtq_y1_19_1_4_1.o eomccsdtq_y1_19_1_4_2.o eomccsdtq_y1_19_1_4_3.o eomccsdtq_y1_19_1_4_3_1.o OFFSET_eomccsdtq_y1_19_1_4_3_1.o eomccsdtq_y1_19_1_4_3_2.o eomccsdtq_y1_19_1_5.o eomccsdtq_y1_19_1_5_1.o OFFSET_eomccsdtq_y1_19_1_5_1.o eomccsdtq_y1_19_1_5_2.o eomccsdtq_y1_19_2.o eomccsdtq_y1_19_2_1.o OFFSET_eomccsdtq_y1_19_2_1.o eomccsdtq_y1_19_2_2.o eomccsdtq_y1_19_2_3.o eomccsdtq_y1_19_2_4.o eomccsdtq_y1_19_2_4_1.o OFFSET_eomccsdtq_y1_19_2_4_1.o eomccsdtq_y1_19_2_4_2.o eomccsdtq_y1_19_2_5.o eomccsdtq_y1_19_2_5_1.o OFFSET_eomccsdtq_y1_19_2_5_1.o eomccsdtq_y1_19_2_5_2.o eomccsdtq_y1_19_2_6.o eomccsdtq_y1_19_2_6_1.o OFFSET_eomccsdtq_y1_19_2_6_1.o eomccsdtq_y1_19_2_6_1_1.o OFFSET_eomccsdtq_y1_19_2_6_1_1.o eomccsdtq_y1_19_2_6_1_2.o eomccsdtq_y1_19_3.o eomccsdtq_y1_19_3_1.o OFFSET_eomccsdtq_y1_19_3_1.o eomccsdtq_y1_19_3_2.o eomccsdtq_y1_19_3_2_1.o OFFSET_eomccsdtq_y1_19_3_2_1.o eomccsdtq_y1_19_4.o eomccsdtq_y1_19_4_1.o OFFSET_eomccsdtq_y1_19_4_1.o eomccsdtq_y1_19_4_2.o eomccsdtq_y1_19_4_2_1.o OFFSET_eomccsdtq_y1_19_4_2_1.o eomccsdtq_y1_19_5.o eomccsdtq_y1_19_5_1.o OFFSET_eomccsdtq_y1_19_5_1.o eomccsdtq_y1_19_5_2.o eomccsdtq_y1_19_5_3.o eomccsdtq_y1_19_6.o eomccsdtq_y1_19_6_1.o OFFSET_eomccsdtq_y1_19_6_1.o eomccsdtq_y1_19_6_2.o eomccsdtq_y1_19_6_3.o eomccsdtq_y1_19_6_4.o eomccsdtq_y1_19_7.o eomccsdtq_y1_19_8.o eomccsdtq_y1_19_8_1.o OFFSET_eomccsdtq_y1_19_8_1.o eomccsdtq_y1_19_8_2.o eomccsdtq_y1_19_9.o eomccsdtq_y1_19_9_1.o OFFSET_eomccsdtq_y1_19_9_1.o eomccsdtq_y1_19_9_2.o eomccsdtq_y1_19_10.o eomccsdtq_y1_19_11.o eomccsdtq_y1_19_11_1.o OFFSET_eomccsdtq_y1_19_11_1.o eomccsdtq_y1_19_11_2.o eomccsdtq_y1_19_11_3.o eomccsdtq_y1_19_12.o eomccsdtq_y1_19_12_1.o OFFSET_eomccsdtq_y1_19_12_1.o eomccsdtq_y1_19_12_2.o eomccsdtq_y1_19_12_3.o eomccsdtq_y1_19_13.o eomccsdtq_y1_19_13_1.o OFFSET_eomccsdtq_y1_19_13_1.o eomccsdtq_y1_19_14.o eomccsdtq_y1_19_14_1.o OFFSET_eomccsdtq_y1_19_14_1.o eomccsdtq_y1_19_15.o eomccsdtq_y1_19_15_1.o OFFSET_eomccsdtq_y1_19_15_1.o eomccsdtq_y1_19_15_1_1.o OFFSET_eomccsdtq_y1_19_15_1_1.o eomccsdtq_y1_19_15_1_2.o eomccsdtq_y1_19_15_1_3.o eomccsdtq_y1_19_15_1_3_1.o OFFSET_eomccsdtq_y1_19_15_1_3_1.o eomccsdtq_y1_19_15_1_3_2.o eomccsdtq_y1_19_15_2.o eomccsdtq_y1_19_15_3.o eomccsdtq_y1_19_15_3_1.o OFFSET_eomccsdtq_y1_19_15_3_1.o eomccsdtq_y1_19_15_3_1_1.o OFFSET_eomccsdtq_y1_19_15_3_1_1.o eomccsdtq_y1_19_16.o eomccsdtq_y1_19_16_1.o OFFSET_eomccsdtq_y1_19_16_1.o eomccsdtq_y1_19_16_2.o eomccsdtq_y1_19_16_2_1.o OFFSET_eomccsdtq_y1_19_16_2_1.o eomccsdtq_y1_19_16_2_1_1.o OFFSET_eomccsdtq_y1_19_16_2_1_1.o eomccsdtq_y1_19_17.o eomccsdtq_y1_19_17_1.o OFFSET_eomccsdtq_y1_19_17_1.o eomccsdtq_y1_19_18.o eomccsdtq_y1_19_18_1.o OFFSET_eomccsdtq_y1_19_18_1.o eomccsdtq_y1_19_18_1_1.o OFFSET_eomccsdtq_y1_19_18_1_1.o eomccsdtq_y1_19_19.o eomccsdtq_y1_19_19_1.o OFFSET_eomccsdtq_y1_19_19_1.o eomccsdtq_y1_19_19_1_1.o OFFSET_eomccsdtq_y1_19_19_1_1.o eomccsdtq_y1_19_20.o eomccsdtq_y1_19_20_1.o OFFSET_eomccsdtq_y1_19_20_1.o eomccsdtq_y1_19_20_1_1.o OFFSET_eomccsdtq_y1_19_20_1_1.o eomccsdtq_y1_19_21.o eomccsdtq_y1_19_21_1.o OFFSET_eomccsdtq_y1_19_21_1.o eomccsdtq_y1_19_21_1_1.o OFFSET_eomccsdtq_y1_19_21_1_1.o eomccsdtq_y1_19_22.o eomccsdtq_y1_19_22_1.o OFFSET_eomccsdtq_y1_19_22_1.o eomccsdtq_y1_19_22_1_1.o OFFSET_eomccsdtq_y1_19_22_1_1.o eomccsdtq_y1_19_23.o eomccsdtq_y1_19_23_1.o OFFSET_eomccsdtq_y1_19_23_1.o eomccsdtq_y1_19_23_1_1.o OFFSET_eomccsdtq_y1_19_23_1_1.o eomccsdtq_y1_19_24.o eomccsdtq_y1_19_24_1.o OFFSET_eomccsdtq_y1_19_24_1.o eomccsdtq_y1_19_24_1_1.o OFFSET_eomccsdtq_y1_19_24_1_1.o eomccsdtq_y1_20.o eomccsdtq_y1_20_1.o OFFSET_eomccsdtq_y1_20_1.o eomccsdtq_y1_20_1_1.o OFFSET_eomccsdtq_y1_20_1_1.o eomccsdtq_y1_20_1_2.o eomccsdtq_y1_20_1_3.o eomccsdtq_y1_20_1_4.o eomccsdtq_y1_20_2.o eomccsdtq_y1_20_2_1.o OFFSET_eomccsdtq_y1_20_2_1.o eomccsdtq_y1_20_2_2.o eomccsdtq_y1_20_3.o eomccsdtq_y1_20_3_1.o OFFSET_eomccsdtq_y1_20_3_1.o eomccsdtq_y1_20_3_2.o eomccsdtq_y1_20_4.o eomccsdtq_y1_20_5.o eomccsdtq_y1_20_5_1.o OFFSET_eomccsdtq_y1_20_5_1.o eomccsdtq_y1_20_6.o eomccsdtq_y1_20_6_1.o OFFSET_eomccsdtq_y1_20_6_1.o eomccsdtq_y1_20_6_1_1.o OFFSET_eomccsdtq_y1_20_6_1_1.o eomccsdtq_y1_20_6_1_2.o eomccsdtq_y1_20_6_1_3.o eomccsdtq_y1_20_6_1_4.o eomccsdtq_y1_20_6_1_4_1.o OFFSET_eomccsdtq_y1_20_6_1_4_1.o eomccsdtq_y1_20_6_1_4_2.o eomccsdtq_y1_20_6_1_4_3.o eomccsdtq_y1_20_7.o eomccsdtq_y1_20_7_1.o OFFSET_eomccsdtq_y1_20_7_1.o eomccsdtq_y1_20_8.o eomccsdtq_y1_20_8_1.o OFFSET_eomccsdtq_y1_20_8_1.o eomccsdtq_y1_20_8_1_1.o OFFSET_eomccsdtq_y1_20_8_1_1.o eomccsdtq_y1_21.o eomccsdtq_y1_21_1.o OFFSET_eomccsdtq_y1_21_1.o eomccsdtq_y1_21_1_1.o OFFSET_eomccsdtq_y1_21_1_1.o eomccsdtq_y1_21_1_2.o eomccsdtq_y1_21_2.o eomccsdtq_y1_21_2_1.o OFFSET_eomccsdtq_y1_21_2_1.o eomccsdtq_y1_21_2_1_1.o OFFSET_eomccsdtq_y1_21_2_1_1.o eomccsdtq_y1_21_2_1_2.o eomccsdtq_y1_22.o eomccsdtq_y1_22_1.o OFFSET_eomccsdtq_y1_22_1.o eomccsdtq_y1_22_1_1.o OFFSET_eomccsdtq_y1_22_1_1.o eomccsdtq_y1_22_1_1_1.o OFFSET_eomccsdtq_y1_22_1_1_1.o eomccsdtq_y1_22_1_1_2.o eomccsdtq_y1_22_1_2.o eomccsdtq_y1_22_2.o eomccsdtq_y1_22_2_1.o OFFSET_eomccsdtq_y1_22_2_1.o eomccsdtq_y1_22_3.o eomccsdtq_y1_22_3_1.o OFFSET_eomccsdtq_y1_22_3_1.o eomccsdtq_y1_22_3_1_1.o OFFSET_eomccsdtq_y1_22_3_1_1.o eomccsdtq_y1_22_3_1_2.o eomccsdtq_y1_22_4.o eomccsdtq_y1_22_4_1.o OFFSET_eomccsdtq_y1_22_4_1.o eomccsdtq_y1_22_4_1_1.o OFFSET_eomccsdtq_y1_22_4_1_1.o eomccsdtq_y1_22_4_1_1_1.o OFFSET_eomccsdtq_y1_22_4_1_1_1.o eomccsdtq_y1_22_4_1_1_2.o eomccsdtq_y2_1.o eomccsdtq_y2_1_1.o OFFSET_eomccsdtq_y2_1_1.o eomccsdtq_y2_1_2.o eomccsdtq_y2_2.o eomccsdtq_y2_2_1.o OFFSET_eomccsdtq_y2_2_1.o eomccsdtq_y2_2_2.o eomccsdtq_y2_3.o eomccsdtq_y2_4.o eomccsdtq_y2_4_1.o OFFSET_eomccsdtq_y2_4_1.o eomccsdtq_y2_4_2.o eomccsdtq_y2_4_2_1.o OFFSET_eomccsdtq_y2_4_2_1.o eomccsdtq_y2_4_2_2.o eomccsdtq_y2_4_3.o eomccsdtq_y2_4_4.o eomccsdtq_y2_5.o eomccsdtq_y2_5_1.o OFFSET_eomccsdtq_y2_5_1.o eomccsdtq_y2_5_2.o eomccsdtq_y2_5_3.o eomccsdtq_y2_5_4.o eomccsdtq_y2_5_4_1.o OFFSET_eomccsdtq_y2_5_4_1.o eomccsdtq_y2_6.o eomccsdtq_y2_6_1.o OFFSET_eomccsdtq_y2_6_1.o eomccsdtq_y2_6_2.o eomccsdtq_y2_6_2_1.o OFFSET_eomccsdtq_y2_6_2_1.o eomccsdtq_y2_6_2_2.o eomccsdtq_y2_6_3.o eomccsdtq_y2_7.o eomccsdtq_y2_7_1.o OFFSET_eomccsdtq_y2_7_1.o eomccsdtq_y2_7_2.o eomccsdtq_y2_7_3.o eomccsdtq_y2_8.o eomccsdtq_y2_9.o eomccsdtq_y2_9_1.o OFFSET_eomccsdtq_y2_9_1.o eomccsdtq_y2_9_2.o eomccsdtq_y2_9_2_1.o OFFSET_eomccsdtq_y2_9_2_1.o eomccsdtq_y2_9_2_2.o eomccsdtq_y2_9_2_2_1.o OFFSET_eomccsdtq_y2_9_2_2_1.o eomccsdtq_y2_9_2_2_2.o eomccsdtq_y2_9_2_3.o eomccsdtq_y2_9_2_4.o eomccsdtq_y2_9_3.o eomccsdtq_y2_9_3_1.o OFFSET_eomccsdtq_y2_9_3_1.o eomccsdtq_y2_9_3_2.o eomccsdtq_y2_9_3_3.o eomccsdtq_y2_9_4.o eomccsdtq_y2_9_5.o eomccsdtq_y2_9_5_1.o OFFSET_eomccsdtq_y2_9_5_1.o eomccsdtq_y2_9_5_2.o eomccsdtq_y2_9_6.o eomccsdtq_y2_9_7.o eomccsdtq_y2_9_8.o eomccsdtq_y2_10.o eomccsdtq_y2_10_1.o OFFSET_eomccsdtq_y2_10_1.o eomccsdtq_y2_10_2.o eomccsdtq_y2_10_2_1.o OFFSET_eomccsdtq_y2_10_2_1.o eomccsdtq_y2_10_2_2.o eomccsdtq_y2_10_2_2_1.o OFFSET_eomccsdtq_y2_10_2_2_1.o eomccsdtq_y2_10_2_2_2.o eomccsdtq_y2_10_2_3.o eomccsdtq_y2_10_3.o eomccsdtq_y2_10_3_1.o OFFSET_eomccsdtq_y2_10_3_1.o eomccsdtq_y2_10_3_2.o eomccsdtq_y2_10_4.o eomccsdtq_y2_10_4_1.o OFFSET_eomccsdtq_y2_10_4_1.o eomccsdtq_y2_10_4_2.o eomccsdtq_y2_10_5.o eomccsdtq_y2_10_5_1.o OFFSET_eomccsdtq_y2_10_5_1.o eomccsdtq_y2_10_5_2.o eomccsdtq_y2_10_6.o eomccsdtq_y2_10_7.o eomccsdtq_y2_11.o eomccsdtq_y2_11_1.o OFFSET_eomccsdtq_y2_11_1.o eomccsdtq_y2_11_2.o eomccsdtq_y2_11_3.o eomccsdtq_y2_11_3_1.o OFFSET_eomccsdtq_y2_11_3_1.o eomccsdtq_y2_11_3_2.o eomccsdtq_y2_11_4.o eomccsdtq_y2_11_5.o eomccsdtq_y2_11_6.o eomccsdtq_y2_11_6_1.o OFFSET_eomccsdtq_y2_11_6_1.o eomccsdtq_y2_11_7.o eomccsdtq_y2_11_7_1.o OFFSET_eomccsdtq_y2_11_7_1.o eomccsdtq_y2_12.o eomccsdtq_y2_12_1.o OFFSET_eomccsdtq_y2_12_1.o eomccsdtq_y2_12_2.o eomccsdtq_y2_12_2_1.o OFFSET_eomccsdtq_y2_12_2_1.o eomccsdtq_y2_12_2_2.o eomccsdtq_y2_12_2_2_1.o OFFSET_eomccsdtq_y2_12_2_2_1.o eomccsdtq_y2_12_2_2_2.o eomccsdtq_y2_12_2_2_2_1.o OFFSET_eomccsdtq_y2_12_2_2_2_1.o eomccsdtq_y2_12_2_2_2_2.o eomccsdtq_y2_12_2_2_3.o eomccsdtq_y2_12_2_3.o eomccsdtq_y2_12_2_3_1.o OFFSET_eomccsdtq_y2_12_2_3_1.o eomccsdtq_y2_12_2_3_2.o eomccsdtq_y2_12_2_4.o eomccsdtq_y2_12_2_5.o eomccsdtq_y2_12_2_5_1.o OFFSET_eomccsdtq_y2_12_2_5_1.o eomccsdtq_y2_12_3.o eomccsdtq_y2_12_3_1.o OFFSET_eomccsdtq_y2_12_3_1.o eomccsdtq_y2_12_3_2.o eomccsdtq_y2_12_4.o eomccsdtq_y2_12_4_1.o OFFSET_eomccsdtq_y2_12_4_1.o eomccsdtq_y2_12_4_2.o eomccsdtq_y2_12_4_2_1.o OFFSET_eomccsdtq_y2_12_4_2_1.o eomccsdtq_y2_12_5.o eomccsdtq_y2_12_5_1.o OFFSET_eomccsdtq_y2_12_5_1.o eomccsdtq_y2_12_5_2.o eomccsdtq_y2_12_5_2_1.o OFFSET_eomccsdtq_y2_12_5_2_1.o eomccsdtq_y2_12_6.o eomccsdtq_y2_12_6_1.o OFFSET_eomccsdtq_y2_12_6_1.o eomccsdtq_y2_12_6_2.o eomccsdtq_y2_12_6_2_1.o OFFSET_eomccsdtq_y2_12_6_2_1.o eomccsdtq_y2_12_6_2_2.o eomccsdtq_y2_12_6_3.o eomccsdtq_y2_12_7.o eomccsdtq_y2_12_7_1.o OFFSET_eomccsdtq_y2_12_7_1.o eomccsdtq_y2_12_7_2.o eomccsdtq_y2_12_7_3.o eomccsdtq_y2_12_8.o eomccsdtq_y2_12_9.o eomccsdtq_y2_12_9_1.o OFFSET_eomccsdtq_y2_12_9_1.o eomccsdtq_y2_12_9_2.o eomccsdtq_y2_12_10.o eomccsdtq_y2_12_10_1.o OFFSET_eomccsdtq_y2_12_10_1.o eomccsdtq_y2_12_10_2.o eomccsdtq_y2_12_11.o eomccsdtq_y2_12_12.o eomccsdtq_y2_12_13.o eomccsdtq_y2_12_13_1.o OFFSET_eomccsdtq_y2_12_13_1.o eomccsdtq_y2_12_13_2.o eomccsdtq_y2_12_13_3.o eomccsdtq_y2_12_14.o eomccsdtq_y2_12_14_1.o OFFSET_eomccsdtq_y2_12_14_1.o eomccsdtq_y2_12_14_2.o eomccsdtq_y2_12_14_3.o eomccsdtq_y2_12_15.o eomccsdtq_y2_12_15_1.o OFFSET_eomccsdtq_y2_12_15_1.o eomccsdtq_y2_12_15_2.o eomccsdtq_y2_13.o eomccsdtq_y2_13_1.o OFFSET_eomccsdtq_y2_13_1.o eomccsdtq_y2_13_2.o eomccsdtq_y2_13_3.o eomccsdtq_y2_13_4.o eomccsdtq_y2_14.o eomccsdtq_y2_14_1.o OFFSET_eomccsdtq_y2_14_1.o eomccsdtq_y2_14_2.o eomccsdtq_y2_14_3.o eomccsdtq_y2_15.o eomccsdtq_y2_15_1.o OFFSET_eomccsdtq_y2_15_1.o eomccsdtq_y2_15_2.o eomccsdtq_y2_15_3.o eomccsdtq_y2_16.o eomccsdtq_y2_16_1.o OFFSET_eomccsdtq_y2_16_1.o eomccsdtq_y2_16_2.o eomccsdtq_y2_16_3.o eomccsdtq_y2_17.o eomccsdtq_y2_17_1.o OFFSET_eomccsdtq_y2_17_1.o eomccsdtq_y2_17_2.o eomccsdtq_y2_18.o eomccsdtq_y2_18_1.o OFFSET_eomccsdtq_y2_18_1.o eomccsdtq_y2_18_2.o eomccsdtq_y2_18_3.o eomccsdtq_y2_19.o eomccsdtq_y2_19_1.o OFFSET_eomccsdtq_y2_19_1.o eomccsdtq_y2_19_2.o eomccsdtq_y2_19_3.o eomccsdtq_y2_19_4.o eomccsdtq_y2_19_4_1.o OFFSET_eomccsdtq_y2_19_4_1.o eomccsdtq_y2_19_5.o eomccsdtq_y2_19_5_1.o OFFSET_eomccsdtq_y2_19_5_1.o eomccsdtq_y2_19_5_2.o eomccsdtq_y2_19_6.o eomccsdtq_y2_19_6_1.o OFFSET_eomccsdtq_y2_19_6_1.o eomccsdtq_y2_19_6_1_1.o OFFSET_eomccsdtq_y2_19_6_1_1.o eomccsdtq_y2_19_6_1_2.o eomccsdtq_y2_19_6_1_3.o eomccsdtq_y2_20.o eomccsdtq_y2_20_1.o OFFSET_eomccsdtq_y2_20_1.o eomccsdtq_y2_20_2.o eomccsdtq_y2_21.o eomccsdtq_y2_21_1.o OFFSET_eomccsdtq_y2_21_1.o eomccsdtq_y2_21_2.o eomccsdtq_y2_22.o eomccsdtq_y2_22_1.o OFFSET_eomccsdtq_y2_22_1.o eomccsdtq_y2_22_1_1.o OFFSET_eomccsdtq_y2_22_1_1.o eomccsdtq_y2_22_1_2.o eomccsdtq_y2_22_1_3.o eomccsdtq_y2_22_1_3_1.o OFFSET_eomccsdtq_y2_22_1_3_1.o eomccsdtq_y2_22_1_3_2.o eomccsdtq_y2_22_2.o eomccsdtq_y2_22_2_1.o OFFSET_eomccsdtq_y2_22_2_1.o eomccsdtq_y2_22_2_2.o eomccsdtq_y2_22_2_3.o eomccsdtq_y2_22_2_4.o eomccsdtq_y2_22_2_4_1.o OFFSET_eomccsdtq_y2_22_2_4_1.o eomccsdtq_y2_22_2_4_2.o eomccsdtq_y2_22_3.o eomccsdtq_y2_22_3_1.o OFFSET_eomccsdtq_y2_22_3_1.o eomccsdtq_y2_22_3_2.o eomccsdtq_y2_22_4.o eomccsdtq_y2_22_4_1.o OFFSET_eomccsdtq_y2_22_4_1.o eomccsdtq_y2_22_4_2.o eomccsdtq_y2_22_5.o eomccsdtq_y2_22_5_1.o OFFSET_eomccsdtq_y2_22_5_1.o eomccsdtq_y2_22_5_2.o eomccsdtq_y2_22_6.o eomccsdtq_y2_22_7.o eomccsdtq_y2_22_7_1.o OFFSET_eomccsdtq_y2_22_7_1.o eomccsdtq_y2_22_7_1_1.o OFFSET_eomccsdtq_y2_22_7_1_1.o eomccsdtq_y2_22_8.o eomccsdtq_y2_22_8_1.o OFFSET_eomccsdtq_y2_22_8_1.o eomccsdtq_y2_22_8_1_1.o OFFSET_eomccsdtq_y2_22_8_1_1.o eomccsdtq_y2_23.o eomccsdtq_y2_23_1.o OFFSET_eomccsdtq_y2_23_1.o eomccsdtq_y2_23_1_1.o OFFSET_eomccsdtq_y2_23_1_1.o eomccsdtq_y2_23_1_2.o eomccsdtq_y2_23_2.o eomccsdtq_y2_23_2_1.o OFFSET_eomccsdtq_y2_23_2_1.o eomccsdtq_y2_23_2_2.o eomccsdtq_y2_23_3.o eomccsdtq_y2_23_3_1.o OFFSET_eomccsdtq_y2_23_3_1.o eomccsdtq_y2_23_3_2.o eomccsdtq_y2_23_4.o eomccsdtq_y2_24.o eomccsdtq_y2_24_1.o OFFSET_eomccsdtq_y2_24_1.o eomccsdtq_y2_25.o eomccsdtq_y2_25_1.o OFFSET_eomccsdtq_y2_25_1.o eomccsdtq_y2_25_2.o eomccsdtq_y2_25_3.o eomccsdtq_y2_25_3_1.o OFFSET_eomccsdtq_y2_25_3_1.o eomccsdtq_y2_25_3_2.o eomccsdtq_y2_25_3_3.o eomccsdtq_y2_25_4.o eomccsdtq_y2_25_4_1.o OFFSET_eomccsdtq_y2_25_4_1.o eomccsdtq_y2_25_4_2.o eomccsdtq_y2_25_4_2_1.o OFFSET_eomccsdtq_y2_25_4_2_1.o eomccsdtq_y2_25_4_2_2.o eomccsdtq_y2_25_5.o eomccsdtq_y2_25_5_1.o OFFSET_eomccsdtq_y2_25_5_1.o eomccsdtq_y2_26.o eomccsdtq_y2_26_1.o OFFSET_eomccsdtq_y2_26_1.o eomccsdtq_y2_27.o eomccsdtq_y2_27_1.o OFFSET_eomccsdtq_y2_27_1.o eomccsdtq_y2_27_1_1.o OFFSET_eomccsdtq_y2_27_1_1.o eomccsdtq_y2_27_2.o eomccsdtq_y2_27_2_1.o OFFSET_eomccsdtq_y2_27_2_1.o eomccsdtq_y2_28.o eomccsdtq_y2_28_1.o OFFSET_eomccsdtq_y2_28_1.o eomccsdtq_y2_28_1_1.o OFFSET_eomccsdtq_y2_28_1_1.o eomccsdtq_y2_28_1_2.o eomccsdtq_y2_28_2.o eomccsdtq_y2_28_2_1.o OFFSET_eomccsdtq_y2_28_2_1.o eomccsdtq_y2_28_2_1_1.o OFFSET_eomccsdtq_y2_28_2_1_1.o eomccsdtq_y2_28_2_1_2.o eomccsdtq_y2_28_2_1_3.o eomccsdtq_y2_29.o eomccsdtq_y2_29_1.o OFFSET_eomccsdtq_y2_29_1.o eomccsdtq_y2_29_1_1.o OFFSET_eomccsdtq_y2_29_1_1.o eomccsdtq_y2_29_1_2.o eomccsdtq_y2_29_2.o eomccsdtq_y2_29_2_1.o OFFSET_eomccsdtq_y2_29_2_1.o eomccsdtq_y2_29_2_1_1.o OFFSET_eomccsdtq_y2_29_2_1_1.o eomccsdtq_y2_29_2_1_2.o eomccsdtq_y2_29_3.o eomccsdtq_y2_29_3_1.o OFFSET_eomccsdtq_y2_29_3_1.o eomccsdtq_y2_29_3_1_1.o OFFSET_eomccsdtq_y2_29_3_1_1.o eomccsdtq_y2_29_3_1_2.o eomccsdtq_y2_29_4.o eomccsdtq_y2_29_4_1.o OFFSET_eomccsdtq_y2_29_4_1.o eomccsdtq_y2_29_4_1_1.o OFFSET_eomccsdtq_y2_29_4_1_1.o eomccsdtq_y2_30.o eomccsdtq_y2_30_1.o OFFSET_eomccsdtq_y2_30_1.o eomccsdtq_y2_30_1_1.o OFFSET_eomccsdtq_y2_30_1_1.o eomccsdtq_y2_30_2.o eomccsdtq_y2_30_2_1.o OFFSET_eomccsdtq_y2_30_2_1.o eomccsdtq_y3_1.o eomccsdtq_y3_2.o eomccsdtq_y3_2_1.o OFFSET_eomccsdtq_y3_2_1.o eomccsdtq_y3_2_2.o eomccsdtq_y3_3.o eomccsdtq_y3_3_1.o OFFSET_eomccsdtq_y3_3_1.o eomccsdtq_y3_3_2.o eomccsdtq_y3_4.o eomccsdtq_y3_5.o eomccsdtq_y3_5_1.o OFFSET_eomccsdtq_y3_5_1.o eomccsdtq_y3_5_2.o eomccsdtq_y3_5_2_1.o OFFSET_eomccsdtq_y3_5_2_1.o eomccsdtq_y3_5_2_2.o eomccsdtq_y3_5_3.o eomccsdtq_y3_5_4.o eomccsdtq_y3_6.o eomccsdtq_y3_6_1.o OFFSET_eomccsdtq_y3_6_1.o eomccsdtq_y3_6_2.o eomccsdtq_y3_6_3.o eomccsdtq_y3_6_4.o eomccsdtq_y3_6_4_1.o OFFSET_eomccsdtq_y3_6_4_1.o eomccsdtq_y3_7.o eomccsdtq_y3_7_1.o OFFSET_eomccsdtq_y3_7_1.o eomccsdtq_y3_7_2.o eomccsdtq_y3_7_2_1.o OFFSET_eomccsdtq_y3_7_2_1.o eomccsdtq_y3_7_2_2.o eomccsdtq_y3_7_3.o eomccsdtq_y3_8.o eomccsdtq_y3_8_1.o OFFSET_eomccsdtq_y3_8_1.o eomccsdtq_y3_8_2.o eomccsdtq_y3_8_3.o eomccsdtq_y3_8_4.o eomccsdtq_y3_8_4_1.o OFFSET_eomccsdtq_y3_8_4_1.o eomccsdtq_y3_9.o eomccsdtq_y3_10.o eomccsdtq_y3_10_1.o OFFSET_eomccsdtq_y3_10_1.o eomccsdtq_y3_10_2.o eomccsdtq_y3_10_2_1.o OFFSET_eomccsdtq_y3_10_2_1.o eomccsdtq_y3_10_2_2.o eomccsdtq_y3_10_2_2_1.o OFFSET_eomccsdtq_y3_10_2_2_1.o eomccsdtq_y3_10_2_2_2.o eomccsdtq_y3_10_2_3.o eomccsdtq_y3_10_2_4.o eomccsdtq_y3_10_3.o eomccsdtq_y3_10_3_1.o OFFSET_eomccsdtq_y3_10_3_1.o eomccsdtq_y3_10_3_2.o eomccsdtq_y3_10_3_3.o eomccsdtq_y3_10_4.o eomccsdtq_y3_10_5.o eomccsdtq_y3_10_5_1.o OFFSET_eomccsdtq_y3_10_5_1.o eomccsdtq_y3_10_5_2.o eomccsdtq_y3_10_6.o eomccsdtq_y3_10_7.o eomccsdtq_y3_10_8.o eomccsdtq_y3_11.o eomccsdtq_y3_11_1.o OFFSET_eomccsdtq_y3_11_1.o eomccsdtq_y3_11_2.o eomccsdtq_y3_11_2_1.o OFFSET_eomccsdtq_y3_11_2_1.o eomccsdtq_y3_11_2_2.o eomccsdtq_y3_11_2_2_1.o OFFSET_eomccsdtq_y3_11_2_2_1.o eomccsdtq_y3_11_2_2_2.o eomccsdtq_y3_11_2_3.o eomccsdtq_y3_11_3.o eomccsdtq_y3_11_3_1.o OFFSET_eomccsdtq_y3_11_3_1.o eomccsdtq_y3_11_3_2.o eomccsdtq_y3_11_4.o eomccsdtq_y3_11_4_1.o OFFSET_eomccsdtq_y3_11_4_1.o eomccsdtq_y3_11_4_2.o eomccsdtq_y3_11_5.o eomccsdtq_y3_11_5_1.o OFFSET_eomccsdtq_y3_11_5_1.o eomccsdtq_y3_11_5_2.o eomccsdtq_y3_11_6.o eomccsdtq_y3_11_7.o eomccsdtq_y3_12.o eomccsdtq_y3_12_1.o OFFSET_eomccsdtq_y3_12_1.o eomccsdtq_y3_12_2.o eomccsdtq_y3_12_3.o eomccsdtq_y3_12_3_1.o OFFSET_eomccsdtq_y3_12_3_1.o eomccsdtq_y3_12_3_2.o eomccsdtq_y3_12_4.o eomccsdtq_y3_12_5.o eomccsdtq_y3_12_6.o eomccsdtq_y3_12_6_1.o OFFSET_eomccsdtq_y3_12_6_1.o eomccsdtq_y3_12_7.o eomccsdtq_y3_12_7_1.o OFFSET_eomccsdtq_y3_12_7_1.o eomccsdtq_y3_13.o eomccsdtq_y3_13_1.o OFFSET_eomccsdtq_y3_13_1.o eomccsdtq_y3_13_2.o eomccsdtq_y3_13_3.o eomccsdtq_y3_14.o eomccsdtq_y3_14_1.o OFFSET_eomccsdtq_y3_14_1.o eomccsdtq_y3_14_2.o eomccsdtq_y3_15.o eomccsdtq_y3_15_1.o OFFSET_eomccsdtq_y3_15_1.o eomccsdtq_y3_15_2.o eomccsdtq_y3_16.o eomccsdtq_y3_16_1.o OFFSET_eomccsdtq_y3_16_1.o eomccsdtq_y3_16_2.o eomccsdtq_y3_17.o eomccsdtq_y3_17_1.o OFFSET_eomccsdtq_y3_17_1.o eomccsdtq_y3_18.o eomccsdtq_y3_18_1.o OFFSET_eomccsdtq_y3_18_1.o eomccsdtq_y3_18_2.o eomccsdtq_y3_19.o eomccsdtq_y3_19_1.o OFFSET_eomccsdtq_y3_19_1.o eomccsdtq_y3_19_2.o eomccsdtq_y3_19_3.o eomccsdtq_y3_19_3_1.o OFFSET_eomccsdtq_y3_19_3_1.o eomccsdtq_y3_19_4.o eomccsdtq_y3_19_4_1.o OFFSET_eomccsdtq_y3_19_4_1.o eomccsdtq_y3_20.o eomccsdtq_y3_20_1.o OFFSET_eomccsdtq_y3_20_1.o eomccsdtq_y3_21.o eomccsdtq_y3_21_1.o OFFSET_eomccsdtq_y3_21_1.o eomccsdtq_y3_22.o eomccsdtq_y3_22_1.o OFFSET_eomccsdtq_y3_22_1.o eomccsdtq_y3_23.o eomccsdtq_y3_23_1.o OFFSET_eomccsdtq_y3_23_1.o eomccsdtq_y3_24.o eomccsdtq_y3_24_1.o OFFSET_eomccsdtq_y3_24_1.o eomccsdtq_y3_24_1_1.o OFFSET_eomccsdtq_y3_24_1_1.o eomccsdtq_y3_25.o eomccsdtq_y3_25_1.o OFFSET_eomccsdtq_y3_25_1.o eomccsdtq_y3_25_1_1.o OFFSET_eomccsdtq_y3_25_1_1.o eomccsdtq_y3_26.o eomccsdtq_y3_26_1.o OFFSET_eomccsdtq_y3_26_1.o eomccsdtq_y3_26_1_1.o OFFSET_eomccsdtq_y3_26_1_1.o eomccsdtq_y3_26_2.o eomccsdtq_y3_26_2_1.o OFFSET_eomccsdtq_y3_26_2_1.o eomccsdtq_y3_27.o eomccsdtq_y3_27_1.o OFFSET_eomccsdtq_y3_27_1.o eomccsdtq_y3_27_1_1.o OFFSET_eomccsdtq_y3_27_1_1.o eomccsdtq_y3_27_2.o eomccsdtq_y3_27_2_1.o OFFSET_eomccsdtq_y3_27_2_1.o eomccsdtq_y3_27_2_1_1.o OFFSET_eomccsdtq_y3_27_2_1_1.o eomccsdtq_y4_1.o eomccsdtq_y4_2.o eomccsdtq_y4_2_1.o OFFSET_eomccsdtq_y4_2_1.o eomccsdtq_y4_2_2.o eomccsdtq_y4_3.o eomccsdtq_y4_3_1.o OFFSET_eomccsdtq_y4_3_1.o eomccsdtq_y4_3_2.o eomccsdtq_y4_4.o eomccsdtq_y4_5.o eomccsdtq_y4_5_1.o OFFSET_eomccsdtq_y4_5_1.o eomccsdtq_y4_5_2.o eomccsdtq_y4_5_2_1.o OFFSET_eomccsdtq_y4_5_2_1.o eomccsdtq_y4_5_2_2.o eomccsdtq_y4_5_3.o eomccsdtq_y4_5_4.o eomccsdtq_y4_6.o eomccsdtq_y4_6_1.o OFFSET_eomccsdtq_y4_6_1.o eomccsdtq_y4_6_2.o eomccsdtq_y4_6_3.o eomccsdtq_y4_6_4.o eomccsdtq_y4_6_4_1.o OFFSET_eomccsdtq_y4_6_4_1.o eomccsdtq_y4_7.o eomccsdtq_y4_7_1.o OFFSET_eomccsdtq_y4_7_1.o eomccsdtq_y4_7_2.o eomccsdtq_y4_7_2_1.o OFFSET_eomccsdtq_y4_7_2_1.o eomccsdtq_y4_7_2_2.o eomccsdtq_y4_7_3.o eomccsdtq_y4_8.o eomccsdtq_y4_8_1.o OFFSET_eomccsdtq_y4_8_1.o eomccsdtq_y4_8_2.o eomccsdtq_y4_8_3.o eomccsdtq_y4_8_4.o eomccsdtq_y4_8_4_1.o OFFSET_eomccsdtq_y4_8_4_1.o eomccsdtq_y4_9.o eomccsdtq_y4_10.o eomccsdtq_y4_10_1.o OFFSET_eomccsdtq_y4_10_1.o eomccsdtq_y4_10_2.o eomccsdtq_y4_11.o eomccsdtq_y4_11_1.o OFFSET_eomccsdtq_y4_11_1.o eomccsdtq_y4_12.o eomccsdtq_y4_12_1.o OFFSET_eomccsdtq_y4_12_1.o eomccsdtq_y4_13.o eomccsdtq_y4_13_1.o OFFSET_eomccsdtq_y4_13_1.o eomccsdtq_y4_14.o eomccsdtq_y4_14_1.o OFFSET_eomccsdtq_y4_14_1.o eomccsdtq_y4_15.o eomccsdtq_y4_15_1.o OFFSET_eomccsdtq_y4_15_1.o eomccsdtq_y4_15_2.o eomccsdtq_y4_15_2_1.o OFFSET_eomccsdtq_y4_15_2_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdtq_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdtq_lr_alpha_10_1_1.F... 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Compiling offset_ccsdtq_lr_alpha_7_1.F... Compiling offset_ccsdtq_lr_alpha_8_1.F... Compiling offset_ccsdtq_lr_alpha_9_1_1.F... Compiling offset_ccsdtq_lr_alpha_9_1.F... Compiling offset_ccsdtq_lr_alpha_9_2_1.F... Compiling offset_ccsdtq_lr_alpha_9_3_1.F... Compiling offset_ccsdtq_lr_alpha_9_4_1.F... Compiling offset_ccsdtq_lr_alpha_9_5_1.F... Compiling offset_ccsdtq_lr_alpha_9_6_1.F... Compiling offset_ccsdtq_lr_alpha_9_7_1.F... Compiling offset_ccsdtq_lr_alpha_9_8_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdtq_lr_alpha_10_1_1.o ccsdtq_lr_alpha_10_1.o ccsdtq_lr_alpha_10_2_1.o ccsdtq_lr_alpha_10_2_2.o ccsdtq_lr_alpha_10_2.o ccsdtq_lr_alpha_10_3_1.o ccsdtq_lr_alpha_10_3.o ccsdtq_lr_alpha_10_4_1.o ccsdtq_lr_alpha_10_4.o ccsdtq_lr_alpha_10_5_1.o ccsdtq_lr_alpha_10_5_2.o ccsdtq_lr_alpha_10_5.o ccsdtq_lr_alpha_10_6_1.o ccsdtq_lr_alpha_10_6.o ccsdtq_lr_alpha_10.o ccsdtq_lr_alpha_1_10_1.o ccsdtq_lr_alpha_1_10_2.o ccsdtq_lr_alpha_1_10_3.o ccsdtq_lr_alpha_1_10.o ccsdtq_lr_alpha_1_11_1.o ccsdtq_lr_alpha_11_1_1.o ccsdtq_lr_alpha_1_11_2.o ccsdtq_lr_alpha_11_1_2.o ccsdtq_lr_alpha_11_1_3.o ccsdtq_lr_alpha_1_11.o ccsdtq_lr_alpha_11_1.o ccsdtq_lr_alpha_1_12_1.o ccsdtq_lr_alpha_11_2_1.o ccsdtq_lr_alpha_11_2_2.o ccsdtq_lr_alpha_11_2_3.o ccsdtq_lr_alpha_1_12.o ccsdtq_lr_alpha_11_2.o ccsdtq_lr_alpha_11_3_1.o ccsdtq_lr_alpha_11_3_2.o ccsdtq_lr_alpha_11_3.o ccsdtq_lr_alpha_11_4_1.o ccsdtq_lr_alpha_11_4.o ccsdtq_lr_alpha_11_5_1.o ccsdtq_lr_alpha_11_5_2.o ccsdtq_lr_alpha_11_5.o ccsdtq_lr_alpha_11_6_1.o ccsdtq_lr_alpha_11_6.o ccsdtq_lr_alpha_1_1.o ccsdtq_lr_alpha_11.o ccsdtq_lr_alpha_12_10_1.o ccsdtq_lr_alpha_12_10_2_1.o ccsdtq_lr_alpha_12_10_2.o ccsdtq_lr_alpha_12_10_3_1.o ccsdtq_lr_alpha_12_10_3.o ccsdtq_lr_alpha_12_10_4_1.o ccsdtq_lr_alpha_12_10_4.o ccsdtq_lr_alpha_12_10_5_1.o ccsdtq_lr_alpha_12_10_5.o ccsdtq_lr_alpha_12_10_6_1.o ccsdtq_lr_alpha_12_10_6.o ccsdtq_lr_alpha_12_10_7_1.o ccsdtq_lr_alpha_12_10_7.o ccsdtq_lr_alpha_12_10.o ccsdtq_lr_alpha_12_11_1.o ccsdtq_lr_alpha_12_11_2.o ccsdtq_lr_alpha_12_1_1.o ccsdtq_lr_alpha_12_11.o ccsdtq_lr_alpha_12_12_1.o ccsdtq_lr_alpha_12_12.o ccsdtq_lr_alpha_12_13_1.o ccsdtq_lr_alpha_12_13.o ccsdtq_lr_alpha_12_14_1.o ccsdtq_lr_alpha_12_14.o ccsdtq_lr_alpha_12_15_1_1.o ccsdtq_lr_alpha_12_15_1.o ccsdtq_lr_alpha_12_15_2_1.o ccsdtq_lr_alpha_12_15_2.o 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ccsdtq_lr_alpha_13_15_1.o ccsdtq_lr_alpha_13_1_5_2.o ccsdtq_lr_alpha_13_15_2.o ccsdtq_lr_alpha_13_1_5_3.o ccsdtq_lr_alpha_13_1_5.o ccsdtq_lr_alpha_13_15.o ccsdtq_lr_alpha_13_1_6_1.o ccsdtq_lr_alpha_13_16_1.o ccsdtq_lr_alpha_13_1_6.o ccsdtq_lr_alpha_13_16.o ccsdtq_lr_alpha_13_17_1_1.o ccsdtq_lr_alpha_13_1_7_1.o ccsdtq_lr_alpha_13_17_1.o ccsdtq_lr_alpha_13_17_2_1.o ccsdtq_lr_alpha_13_1_7_2.o ccsdtq_lr_alpha_13_17_2.o ccsdtq_lr_alpha_13_17_3_1.o ccsdtq_lr_alpha_13_1_7_3.o ccsdtq_lr_alpha_13_17_3.o ccsdtq_lr_alpha_13_17_4_1.o ccsdtq_lr_alpha_13_17_4.o ccsdtq_lr_alpha_13_1_7.o ccsdtq_lr_alpha_13_17.o ccsdtq_lr_alpha_13_18_1_1.o ccsdtq_lr_alpha_13_18_1.o ccsdtq_lr_alpha_13_18_2_1.o ccsdtq_lr_alpha_13_18_2.o ccsdtq_lr_alpha_13_18_3_1.o ccsdtq_lr_alpha_13_18_3_2.o ccsdtq_lr_alpha_13_18_3_3.o ccsdtq_lr_alpha_13_18_3.o ccsdtq_lr_alpha_13_18_4_1.o ccsdtq_lr_alpha_13_18_4_2.o ccsdtq_lr_alpha_13_18_4_3.o ccsdtq_lr_alpha_13_18_4.o ccsdtq_lr_alpha_13_18.o ccsdtq_lr_alpha_13_19_1_1.o 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offset_ccsdtq_lr_alpha_16_15_3_1.o offset_ccsdtq_lr_alpha_16_15_4_1.o offset_ccsdtq_lr_alpha_16_15_5_1.o offset_ccsdtq_lr_alpha_16_15_6_1.o offset_ccsdtq_lr_alpha_16_16_1_1.o offset_ccsdtq_lr_alpha_16_16_1.o offset_ccsdtq_lr_alpha_16_16_2_1.o offset_ccsdtq_lr_alpha_16_17_1_1.o offset_ccsdtq_lr_alpha_16_17_1.o offset_ccsdtq_lr_alpha_16_17_2_1.o offset_ccsdtq_lr_alpha_16_18_1_1.o offset_ccsdtq_lr_alpha_16_18_1.o offset_ccsdtq_lr_alpha_16_18_2_1.o offset_ccsdtq_lr_alpha_16_18_3_1.o offset_ccsdtq_lr_alpha_16_18_4_1.o offset_ccsdtq_lr_alpha_16_18_5_1.o offset_ccsdtq_lr_alpha_16_18_6_1.o offset_ccsdtq_lr_alpha_16_19_1_1.o offset_ccsdtq_lr_alpha_16_19_1.o offset_ccsdtq_lr_alpha_16_19_2_1.o offset_ccsdtq_lr_alpha_1_6_1.o offset_ccsdtq_lr_alpha_16_1.o offset_ccsdtq_lr_alpha_16_20_1_1.o offset_ccsdtq_lr_alpha_16_20_1.o offset_ccsdtq_lr_alpha_16_20_2_1.o offset_ccsdtq_lr_alpha_16_20_3_1.o offset_ccsdtq_lr_alpha_16_20_4_1.o offset_ccsdtq_lr_alpha_16_20_5_1.o offset_ccsdtq_lr_alpha_16_20_6_1.o offset_ccsdtq_lr_alpha_16_21_1_1.o offset_ccsdtq_lr_alpha_16_21_1.o offset_ccsdtq_lr_alpha_16_21_2_1.o offset_ccsdtq_lr_alpha_16_2_1.o offset_ccsdtq_lr_alpha_16_3_1.o offset_ccsdtq_lr_alpha_16_4_1.o offset_ccsdtq_lr_alpha_16_5_1.o offset_ccsdtq_lr_alpha_16_6_1.o offset_ccsdtq_lr_alpha_16_7_1.o offset_ccsdtq_lr_alpha_16_8_1.o offset_ccsdtq_lr_alpha_16_8_3_1.o offset_ccsdtq_lr_alpha_16_8_4_1.o offset_ccsdtq_lr_alpha_16_9_1.o offset_ccsdtq_lr_alpha_1_7_1.o offset_ccsdtq_lr_alpha_17_1.o offset_ccsdtq_lr_alpha_1_8_1.o offset_ccsdtq_lr_alpha_1_9_1.o offset_ccsdtq_lr_alpha_2_1.o offset_ccsdtq_lr_alpha_3_1_1.o offset_ccsdtq_lr_alpha_3_1.o offset_ccsdtq_lr_alpha_3_2_1.o offset_ccsdtq_lr_alpha_3_3_1.o offset_ccsdtq_lr_alpha_3_3_3_1.o offset_ccsdtq_lr_alpha_3_3_4_1.o offset_ccsdtq_lr_alpha_3_4_1.o offset_ccsdtq_lr_alpha_3_5_1.o offset_ccsdtq_lr_alpha_3_5_3_1.o offset_ccsdtq_lr_alpha_3_5_4_1.o offset_ccsdtq_lr_alpha_3_6_1.o offset_ccsdtq_lr_alpha_3_7_1.o offset_ccsdtq_lr_alpha_3_8_1.o offset_ccsdtq_lr_alpha_3_9_1_1.o offset_ccsdtq_lr_alpha_3_9_1.o offset_ccsdtq_lr_alpha_3_9_2_1.o offset_ccsdtq_lr_alpha_4_1.o offset_ccsdtq_lr_alpha_5_10_1.o offset_ccsdtq_lr_alpha_5_11_1.o offset_ccsdtq_lr_alpha_5_12_1.o offset_ccsdtq_lr_alpha_5_1.o offset_ccsdtq_lr_alpha_5_5_1.o offset_ccsdtq_lr_alpha_5_6_1.o offset_ccsdtq_lr_alpha_5_7_1.o offset_ccsdtq_lr_alpha_5_8_1.o offset_ccsdtq_lr_alpha_5_9_1.o offset_ccsdtq_lr_alpha_6_1.o offset_ccsdtq_lr_alpha_7_1.o offset_ccsdtq_lr_alpha_8_1.o offset_ccsdtq_lr_alpha_9_1_1.o offset_ccsdtq_lr_alpha_9_1.o offset_ccsdtq_lr_alpha_9_2_1.o offset_ccsdtq_lr_alpha_9_3_1.o offset_ccsdtq_lr_alpha_9_4_1.o offset_ccsdtq_lr_alpha_9_5_1.o offset_ccsdtq_lr_alpha_9_6_1.o offset_ccsdtq_lr_alpha_9_7_1.o offset_ccsdtq_lr_alpha_9_8_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making libraries in bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in mm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mm_input.F... Compiling mm_data.F... mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'nbtot' at (1); passed REAL(8) to INTEGER(4) mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'br' at (1); passed LOGICAL(4) to REAL(8) mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'lqm' at (1); passed INTEGER(4) to LOGICAL(4) mm_bond.F:1802:40: 1802 | & int_mb(i_indx),ndih,int_mb(i_idih), | 1 Warning: Rank mismatch in argument 'indx' at (1) (rank-1 and scalar) mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'ldih' at (1); passed REAL(8) to INTEGER(4) mm_bond.F:1805:40: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Rank mismatch in argument 'phas' at (1) (rank-1 and scalar) Compiling mm_bond_coords.F... Compiling mm_link.F... mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling mm_neb.F... mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling mm_cons.F... mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a Making libraries in cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in dntmc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dntmc_input.F... dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dntmc_setgeom.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). gibbs.F:4594:72: 4594 | NUMBER(I,J) = NUMBER(I,J) + 1 | ^ Warning: 'spctagpoint' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:4549:36: 4549 | integer spctagsum, spctagpoint | ^ note: 'spctagpoint' was declared here gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.6988] *)_570][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7671] *)_546][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.8417] *)_493][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a Making libraries in dangchang grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dc_initialize.F... Compiling dc_setgeom.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a Making libraries in ccca grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_ccca.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(4)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ccca_utils.F... ccca_utils.F:1470:51: 1463 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1470 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). ccca_utils.F:1007:60: 1005 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1006 | if (restart) 1007 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a task_ccca.o ccca_utils.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a Making libraries in dimqm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dimqm_input.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dimpar_input.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dimqm_prep.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_main.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling matvecComplex.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(4)). Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/CHARACTER(*)). Compiling dimqm_addop.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dimqm_lclfld.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling seeded_qmr_real.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qmr_seed_real.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling seeded_qmr_real_augment.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling seeded_qmr_complex.F... seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(4)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_broadcast.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dimqm_util.F... dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dimqm_addop_uhf.F... dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a Making libraries in 64to32blas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.f... Compiling ypotrf.f... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/lib64to32.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/lib64to32.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/lib64to32.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - /usr/bin/make nwchem.o stubs.o grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E gfortran -fno-tree-dominator-opts -std=legacy -m32 -march=pentium4 -mtune=pentium4 -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -I. -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -DCHKUNDFLW -DGCC4 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9'" -DNWCHEM_BRANCH="'7.0.2'" -c -o nwchem.o nwchem.F gfortran -fno-tree-dominator-opts -std=legacy -m32 -march=pentium4 -mtune=pentium4 -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -I. -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include -I/usr/include -I/usr/include/openmpi-i386 -I/usr/lib/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -DCHKUNDFLW -DGCC4 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9'" -DNWCHEM_BRANCH="'7.0.2'" -c -o stubs.o stubs.F gfortran -fno-tree-dominator-opts -std=legacy -m32 -march=pentium4 -mtune=pentium4 -Xlinker --export-dynamic -L/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX -L/usr/lib -L/usr/lib/openmpi/lib -o /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -L/usr/lib -lflexiblas -l64to32 -L/usr/lib -lflexiblas -L/usr/lib -lflexiblas -L/usr/lib/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lcomex -lflexiblas -lm -lscalapack -lflexiblas -lpthread -lm -lnwcutil -L/usr/lib -lpython3.11 -ldl -lm /bin/rm -f nwchem.o stubs.o all is built + mv ../bin/LINUX/nwchem ../bin/LINUX/nwchem_binary_openmpi + echo '#!/bin/bash' + echo 'export FLEXIBLAS=openblas-serial' + echo -n 'nwchem_binary_openmpi ' + echo '"$@"' + chmod 755 ../bin/LINUX/nwchem_openmpi + cat ../bin/LINUX/nwchem_openmpi #!/bin/bash export FLEXIBLAS=openblas-serial nwchem_binary_openmpi "$@" + NWCHEM_TARGET=LINUX + /usr/bin/make USE_INTERNALBLAS=1 clean egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX ./util/util_nwchem_version.bash which: no git in (/usr/lib/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) rm -f core *.o *.a *.trace Making clean in tools egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Not configured Making clean in include egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[1]: 'clean' is up to date. Making clean in basis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testbasis testbasis.o libcheck if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in geom egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in inp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o test hnd_rdfree.o hnd_rdfree if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in input egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ] ; then \ echo input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ fi ; \ fi ; Making clean in pstat egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in rtdb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in hdbm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test test.o rtdbtest rtdbtest.o interact context davetest context.o davetest.o interact.o rtdb_par_f2c.o cntx.o cntx testgr.o testgr if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo rtdb_seq.o rtdb_f2c.o rtdb.o context.o context_f2c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in task egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ] ; then \ echo task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ fi ; \ fi ; Making clean in symmetry egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in util egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in md5 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testsolve testecce if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in peigs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E (cd ./src/c; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o maxx.f F*.f rm -f *.c.* (cd ./src/f77; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o rm -f *.s rm -f dgetavec.f dlaebz2.f \ dspevx2.f dstebz3.f \ neblw2.f sneblw2.f sstebz3.f rm -f F*.f (cd ./comm; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o rm -f mxbrod.f rm -f mxcombv1.f rm -f mxsubs.f rm -f sum.f peigs_dgop.f (cd ./ctof; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o Making clean in perfm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ fi ; \ fi ; Making clean in bq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ fi ; \ fi ; Making clean in cons egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ fi ; \ fi ; Making clean in NWints egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in simint egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in module egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in source egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in api egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in int egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in auxil egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in ints_sp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in deriv egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in texas egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in ecp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in hondo egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in rel egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in dk egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in atomscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ] ; then \ echo orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ; \ fi ; \ fi ; Making clean in ddscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in fast egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ] ; then \ echo comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ fi ; \ fi ; Making clean in gradients egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ] ; then \ echo gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ; \ fi ; \ fi ; Making clean in moints egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ] ; then \ echo atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ; \ fi ; \ fi ; Making clean in nwdft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in include egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in input_dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in scf_dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in scf_dft_cg egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in so_dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in coulomb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in xc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in util egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in grid egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in dftgrad egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft_grad egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in zora egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in spec egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rt_tddft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in matutils egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rtutils egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in input egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in init egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in canorg egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in propagators egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in closedshell egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in openshell egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rimp2 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ] ; then \ echo rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ; \ fi ; \ fi ; Making clean in stepper egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ] ; then \ echo stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ; \ fi ; \ fi ; Making clean in driver egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ] ; then \ echo opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ; \ fi ; \ fi ; Making clean in optim egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in deloc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in mepgs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in tropt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in neb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in string egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in cphf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ; \ fi ; \ fi ; Making clean in ccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ] ; then \ echo ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ; \ fi ; \ fi ; Making clean in vib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ] ; then \ echo vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ; \ fi ; \ fi ; Making clean in mcscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in detci egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ] ; then \ echo mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ fi ; \ fi ; Making clean in prepar egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ] ; then \ echo prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ; \ fi ; \ fi ; Making clean in esp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ] ; then \ echo esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ; \ fi ; \ fi ; Making clean in hessian egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in analytic egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ fi ; \ fi ; Making clean in selci egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ] ; then \ echo iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ; \ fi ; \ fi ; Making clean in dplot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ] ; then \ echo dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ; \ fi ; \ fi ; Making clean in mp2_grad egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ] ; then \ echo mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ; \ fi ; \ fi ; Making clean in qhop egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ; \ fi ; \ fi ; Making clean in property egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ] ; then \ echo hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ; \ fi ; \ fi ; Making clean in solvation egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ] ; then \ echo mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o hnd_cosmo_lib.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ; \ fi ; \ fi ; Making clean in nwpw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in nwpwlib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in Parallel egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D1dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D3dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in Pneb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in K1dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in C3dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in DMatrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in CMatrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TMatrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in control egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in lattice egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in io egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ion egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in shake egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pseudopotential egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in paw_atom egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in utilities egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in paw_utilities egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in unitcell egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in brillouin_zone egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in fractional egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in linesearch egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in timing egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ewald egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in thermostats egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in MetaDynamics egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TAMD egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in FMM egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in md_xs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in FEFF6L egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in nwpwxc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in libraryps egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pspw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in lib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in psi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in electron egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ke egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in vdw-DF egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o pw91c.o pbe96c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in sic egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in hfx egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ion egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in psp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in kbpp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in makepsi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cgsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in analysis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in APC egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cell_optimize egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in qmmm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in pspw_LJ egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in mmq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in charge egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in dplot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in lcao egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in paw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in paw_geometry egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ma egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_utils egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_basis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_proj egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_matrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ovlp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_charge egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_special_functions egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_gaunt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_kinetic egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_vloc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ion_potential egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_core egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_hartree egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_pot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_mult egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_nonlocal egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_density egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_xc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_force egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_Grsm_list egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_psi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cgsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cell_optimize egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; make[2]: [../../config/makelib.h:299: clean] Error 1 (ignored) Making clean in band egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in minimizer egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in structure egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cell_optimize egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in kbpp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in makepsi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in lib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in cpsp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ke egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in coulomb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in electron egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in psi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in hfx egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in borbs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in dplot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in analysis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in APC egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_APC.o band_Efield.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ofpw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in minimizer egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in lib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in chi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in electron egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in ke egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in WGC egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ] ; then \ echo nwpw_input.o nwpw_default.o nwpw_vectors_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ; \ fi ; \ fi ; Making clean in fft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in pfft1.0 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in fftpack egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; Making clean in pfft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in pfftwrap egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; Making clean in python egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ] ; then \ echo python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ; \ fi ; \ fi ; Making clean in analyz egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ] ; then \ echo ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ; \ fi ; \ fi ; Making clean in nwmd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ] ; then \ echo nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ; \ fi ; \ fi ; Making clean in cafe egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ] ; then \ echo cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ; \ fi ; \ fi ; Making clean in space egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ; \ fi ; \ fi ; Making clean in drdy egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ] ; then \ echo atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ; \ fi ; \ fi ; Making clean in vscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ; \ fi ; \ fi ; Making clean in qmmm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ] ; then \ echo qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ; \ fi ; \ fi ; Making clean in qmd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ] ; then \ echo qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ; \ fi ; \ fi ; Making clean in etrans egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ] ; then \ echo et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ; \ fi ; \ fi ; Making clean in tce egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in include egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in diis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in diis2 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in gradients egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_lambda egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cr-eomccsd_t egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lrh egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in emb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lccd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in qcisd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cc3 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt1 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt2 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt3 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt4 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisdt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisdtq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_act egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd_act egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cr_eomccsd_t_act egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in sort egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ducc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ucc4 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt_lambda egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsdt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_alpha egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_beta egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_yr egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in response egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in bq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/include > dependencies egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ fi ; \ fi ; Making clean in mm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ] ; then \ echo mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ; \ fi ; \ fi ; Making clean in cons egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/include > dependencies egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ fi ; \ fi ; Making clean in perfm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/include > dependencies egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ fi ; \ fi ; Making clean in dntmc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ; \ fi ; \ fi ; Making clean in dangchang egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ; \ fi ; \ fi ; Making clean in ccca egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ; \ fi ; \ fi ; Making clean in dimqm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ] ; then \ echo dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ; \ fi ; \ fi ; Making clean in config egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x depend.o + cd .. + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/66/exe ']' +++ /usr/bin/readlink /proc/66/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/openmpi-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + rm -rf src + cp -rp src.orig src + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/66/exe ']' +++ /usr/bin/readlink /proc/66/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/mpich-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + cd src + cp -p ../settings.sh ../compile_mpich.sh + echo export USE_MPI=y + echo export USE_MPIF=y + echo export USE_MPIF4=y + echo export MPIEXEC=/usr/lib/mpich/bin/mpiexec + echo export LD_LIBRARY_PATH=/usr/lib/mpich/lib + echo export EXTERNAL_GA_PATH=/usr/lib/mpich + cat ../make.sh + /usr/bin/sed -i 's|.log|_mpich.log|g' ../compile_mpich.sh + cat ../compile_mpich.sh # see https://nwchemgit.github.io/Compiling-NWChem.html export NWCHEM_TARGET=LINUX export CC=gcc export FC=gfortran export USE_ARUR=TRUE export USE_NOFSCHECK=TRUE export USE_NOIO=TRUE export NWCHEM_FSCHECK=N export LARGE_FILES=TRUE export MRCC_THEORY=Y export EACCSD=Y export IPCCSD=Y export CCSDTQ=Y export CCSDTLR=Y export NWCHEM_LONG_PATHS=Y export HAS_BLAS=yes export BLASOPT='-L/usr/lib -lflexiblas' export BLAS_SIZE='4' export LAPACK_LIB='-L/usr/lib -lflexiblas' export MAKE=/usr/bin/make export USE_MPI=y export USE_MPIF=y export USE_MPIF4=y export MPIEXEC=/usr/lib/mpich/bin/mpiexec export LD_LIBRARY_PATH=/usr/lib/mpich/lib export EXTERNAL_GA_PATH=/usr/lib/mpich $MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config_mpich.log export MAKEOPTS="" $MAKE ${MAKEOPTS} 2>&1 + sh ../compile_mpich.sh grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX ./util/util_nwchem_version.bash which: no git in (/usr/lib/mpich/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) Making libraries in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm 64to32blas; do \ echo Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/$dir ; \ (cd /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/$dir; /usr/bin/make include_stamp) ; \ done Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Nothing to be done Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E ( cd /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/config; /usr/bin/make /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x ; ) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E gcc -g -o /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x depend.c /bin/rm -f depend.o /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/geom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p geom.fh geomP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/inp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p inp.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/pstat grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p pstat.fh pstat_consts.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/rtdb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in hdbm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p hdbm.h /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/task grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/symmetry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p sym.fh ../NWints/auxil/spcartP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in md5 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p checksum.h /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh vtune.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/peigs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p dist.fh yflop.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p bq.fh bq_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/NWints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in simint grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in module grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in source grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in api grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in int grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p sh_order.fh case.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in auxil grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p spcartP.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in ints_sp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in deriv grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../int/sh_order.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in texas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p screened_op.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in ecp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ecp_nwc.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in hondo grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in rel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in dk grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/atomscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/ddscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in fast grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/moints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p moints_stats.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwdft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I./include -I./grid -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in input_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in scf_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory cp -p dftps.fh dft_fdist.fh dft_conv.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in scf_dft_cg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in so_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in grid grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in dftgrad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lr_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lr_tddft_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in zora grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in spec grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in rt_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in matutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p matutils.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in rtutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in init grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in canorg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in propagators grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in closedshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in openshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp cp -p ../ddscf/cosmo.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/rimp2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/stepper grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/driver grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/optim grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in deloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mepgs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in tropt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in neb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in string grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cphf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/vib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/mcscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../ddscf -I./detci -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in detci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/prepar grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/esp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/hessian grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in analytic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../../nwdft/include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p hess_info.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/selci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/mp2_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/qhop grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/property grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p prop.fh atomdata.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/solvation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in nwpwlib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in Parallel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p stupid_mpi4.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in D1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in D3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in Pneb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in K1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in C3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in DMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in CMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in TMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in control grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lattice grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in io grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in shake grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p ../../nwpwlib/utilities/beom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in pseudopotential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in paw_atom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in paw_utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp cp -p bafdecls.fh btdb.fh beom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in unitcell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in brillouin_zone grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in fractional grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p frac_occ.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in linesearch grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in timing grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ewald grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in thermostats grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in MetaDynamics grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in TAMD grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in FMM grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in md_xs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in FEFF6L grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in nwpwxc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p nwpwxc.fh nwpwxc_param.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp touch include_stamp Making include_stamp in libraryps grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pspw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in exchange-correlation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in vdw-DF grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in sic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in psp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in aorbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in truncating_function grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in pspw_LJ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pspw_Q grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pspw_Pair grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mmq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lcao grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in paw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in paw_geometry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_geom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_ma grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_ma.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_utils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_basis.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_proj grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_proj.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_matrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_comp_charge_matrix.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_ovlp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_ovlp_data.fh paw_ovlp.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_comp_charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_comp_charge_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_special_functions grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_gaunt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_gaunt.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_kinetic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_vloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_vloc_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_ion_potential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_ion_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_core grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_core_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_hartree grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_energy_hartree_atom.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_comp_pot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_mult grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_mult_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_nonlocal grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in paw_density grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in paw_xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_xc.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_force grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p paw_force_data.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in paw_Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in paw_psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in band grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in structure grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in cpsp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in borbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp touch include_stamp Making include_stamp in ofpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in chi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in WGC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/fft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in pfft1.0 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in fftpack grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in pfft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in pfftwrap grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/python grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/analyz grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p nwmd_constants.fh md_common.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cafe grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/space grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/drdy grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/vscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/qmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p ../util/util_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/etrans grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tce grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I./include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making include_stamp in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in diis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in diis2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cr-eomccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lrh grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in emb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in lccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in qcisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cc3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt1 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in mbpt4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cisdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cisdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in cr_eomccsd_t_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in sort grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ducc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ucc4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eaccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ipccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_alpha_new grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdt_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_alpha grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsd_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdtq_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in eomccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in ccsdtq_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: 'include_stamp' is up to date. touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: 'include_stamp' is up to date. Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/mm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p mm.fh mm_params.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: 'include_stamp' is up to date. Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: 'include_stamp' is up to date. Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dntmc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dangchang grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/ccca grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../basis -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/dimqm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E cp -p dimqm.fh dimqm_constants.fh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include touch include_stamp Making include_stamp in /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/64to32blas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E touch include_stamp Making libraries in basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling basis.F... basis.F:2075:62: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2075 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). basis.F:2081:48: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | & rtdb_put(rtdb,tmp,mt_int,ndbs_head,head_array) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) basis.F:2086:53: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2086 | & rtdb,tmp,mt_int,(ndbs_tags*ntags_bsmx), tags_array) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) basis.F:2091:54: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2091 | & rtdb,tmp,mt_int,(ndbs_ucont*nucont_bsmx),ucont_array) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) basis.F:2130:44: 2051 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2130 | & rtdb,tmp,mt_int,star_nr_tags,star_nr_excpt) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) basis.F:1124:39: 1124 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2713 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). basis.F:1193:44: 1193 | & rtdb,tmp,mt_int,star_nr_tags,star_nr_excpt) | 1 ...... 2713 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) basis.F:2662:31: 2662 | $ ndbs_head, head_array)) then | 1 ...... 2713 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in geom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling geom.F... geom.F:1105:11: 1101 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1105 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). geom.F:600:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 600 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). geom.F:2406:30: 2406 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3407 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling geom_input.F... geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... geom_numcore.F:106:51: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 106 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:111:54: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 111 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_checksum.F... Compiling geom_print_ecce.F... Compiling geom_freeze.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling geom_fragment.F... Compiling geom_getsym.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling geom_hnd.F... geom_hnd.F:4626:12: 4625 | 120 DO 260 NR=1,N2 | 2 4626 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5059:40: 5059 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5138 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in inp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_inp.c... Compiling hnd_rdfree.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling inp.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling input_parse.F... Compiling input_mem.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling memory_input.F... Compiling input_set.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a Making libraries in pstat grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in rtdb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rtdb_seq.c... rtdb_seq.c:1189:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1189 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:39: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rtdb_f2c.c... rtdb_f2c.c: In function 'rtdb_getfname_': rtdb_f2c.c:170:69: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 170 | (void) fprintf(stderr, "rtdb_fname: mbuf is too small, need=%ld\n",strlen(mbuf)); | ~~^ ~~~~~~~~~~~~ | | | | | size_t {aka unsigned int} | long int | %d Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ Compiling context_f2c.c... Making all in hdbm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hdbm.c... hdbm.c: In function 'datum_fread': hdbm.c:305:58: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 305 | fprintf(stderr, "datum_fread: failed to malloc %lu\n", size); | ~~^ ~~~~ | | | | | size_t {aka unsigned int} | long unsigned int | %u hdbm.c:314:61: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 314 | fprintf(stderr, "datum_fread: failed to read data %lu\n", size); | ~~^ ~~~~ | | | | | size_t {aka unsigned int} | long unsigned int | %u grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a hdbm.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a rtdb_seq.o rtdb_f2c.o rtdb.o context.o context_f2c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in task grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_energy.F... task_energy.F:275:59: 272 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 275 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 456 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_gradient.F... task_gradient.F:552:50: 318 | $ numerical)) numerical = .false. | 2 ...... 552 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_gradient.F:185:57: 185 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_gradient.F:199:58: 199 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_gradient.F:202:59: 202 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 559 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_optimize.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling task_freq.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_hessian.F... task_hessian.F:250:57: 179 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 250 | if (.not.rtdb_get(rtdb,'stpr_gen:delta',MT_DBL,1,delta_pass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). task_hessian.F:106:58: 106 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 183 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_dynamics.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_thermo.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_et.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling task_save_state.F... Compiling task.F... task.F:174:50: 174 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 572 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling task_vscf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling task_bsse.F... task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a Making libraries in symmetry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... sym_get_cart.F:74:34: 68 | do j = 1, 4 | 2 ...... 74 | $ amatrix_inv(k,j,geom) | 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_mo_adapt.F:322:30: 321 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 322 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... dctr.f:237:18: 234 | do 20 j=1,4 | 2 ...... 237 | trans(j)=0d0 | 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(4)). Compiling banner.f... Compiling util_print.F... Compiling util_module_avail.F... cp util_v_stub.F util_version.F Compiling util_version.F... Compiling util_nwchem_version.F... ./util_ga_version.bash Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ga_local_mdot.F... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... util_system.c: In function 'util_system_': util_system.c:40:16: warning: unused variable 'Siginit' [-Wunused-variable] 40 | void (*Siginit)(); | ^~~~~~~ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nw_inp_from_file.F... Compiling bgj.F... bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling movecs_ecce.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling get_density.F... Compiling moeig_read.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ga_extra.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_test.F... Compiling util_ga_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util.c... Compiling util_patch_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling util_eaf_test.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling util_scalapack_info.F... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... Compiling linux_setfpucw.c... linux_setfpucw.c:13:20: warning: "/*" within comment [-Wcomment] 13 | /*#define FPSWAMOD /* this modifies fpswa behavior on ia64 */ | grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/usr/include/mpich-i386 -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich > dependencies grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ga_matpow.F... Compiling util_pack.F... util_pack.F:129:28: 72 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 129 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). Compiling dabssum.F... Compiling dabsmax.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... util_rsg.f:102:16: 102 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here util_rsg.f:132:72: 132 | p = g * h | ^ Warning: 'g' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:30: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'g' was declared here util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here Compiling stpr_sjacobi.F... Compiling util_memcpy.c... Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here Compiling util_mirror.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling util_talker.c... util_talker.c: In function 'util_talker_': util_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... Making all in md5 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a md5wrap.o md5.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a Making libraries in peigs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E (/usr/bin/make lib ) || exit 1 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E (cd ./src/c; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ Compiling mgscs.c... Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:257:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 257 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:258:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 258 | fprintf( stderr, " me = %ld recv_num and/or send_num > 1. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:262:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 262 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:263:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 263 | fprintf( stderr, " me = %ld send_cl != cl_num - 1. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:268:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 268 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:269:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 269 | fprintf( stderr, " me = %ld recv_cl != 0. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:325:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 325 | fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:326:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 326 | fprintf( stderr, " me = %ld Swapping of initial cluster data \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:327:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 327 | fprintf( stderr, " me = %ld does not have a well defined start. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:328:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] 328 | fprintf( stderr, " me = %ld clustrinv,mgs cannot handle this. \n", me); | ~~^ ~~ | | | | long int Integer {aka int} | %d clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ clustrxx5.c:128:11: warning: 'myindx' may be used uninitialized [-Wmaybe-uninitialized] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ Compiling pstein4.c... pstein4.c: In function 'pstein4': pstein4.c:158:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] 158 | Integer **piwork, max_sz, sync_proc, numclstr; | ^~~~~~ Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:146:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] 146 | Integer **piwork, max_sz, sync_proc; | ^~~~~~ Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ Compiling b_ortho.c... Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'fil_mapvec_': ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((unsigned int)k * 4)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ Compiling exit.c... Compiling exit2.c... Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling memreq_f.c... Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ Compiling pdspgvx.c... Compiling pdsptri.c... Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling pxerbla.c... Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling tred22.c... Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ Compiling util.c... Compiling xerbla.c... Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling pdiff.c... Compiling pgexit.c... Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 451 | sep = xj - xjm; | ~~~~^~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ Compiling gdot.F... ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o (cd ./src/f77; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling inverm.F... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here dstebz3.F:570:39: 570 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:63: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wlu' was declared here dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:572:44: 572 | ELSE IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:72: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here Compiling heapsort.f... Compiling neblw2.F... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling dspevx2.F... Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... (cd ./comm; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mxbrod.F... mxbrod.F:141:72: 141 | dstsrc = mylpos - srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] mxbrod.F:84:20: 84 | integer srcpos | ^ note: 'srcpos' was declared here Compiling mxcombv1.F... mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] Compiling mxsubs.F... mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... (cd ./ctof; /usr/bin/make) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling bortho_f.c... Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... Compiling pdspev_f.c... Compiling pdspevx_f.c... Compiling pdspgv_f.c... Compiling pdspgvx_f.c... Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... rm -f libpeigs.a ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpeigs.a touch peigs_stamp.LINUX Making libraries in perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dist.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a Making libraries in bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling bq_input.F... bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling bq_data.F... Compiling bq_rtdb.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a Making libraries in cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cons_input.F... Compiling cons.F... cons.F:556:20: 556 | > mt_int,1,nfa) | 1 ...... 914 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling cons_utils.F... Compiling cons_springs.F... cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling cons_rtdb.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cons_data.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a Making libraries in NWints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling intgrl_input.F... Making all in simint grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in module grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwcsim_module.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a nwcsim_module.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in source grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a nwcsim_facef90.o nwcsim_hf2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in api grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cando_sp.F... cando_sp.F:294:0: 294 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :10:0: note: this is the location of the previous definition Compiling exact_mem.F... exact_mem.F:70:54: 61 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 70 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :10:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... int_init.F:79:47: 79 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 267 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... intd_2e4c.F:258:33: 258 | call dcopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 563 | call dcopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call dcopy(3,0.0d00,0,roff,1) | 1 ...... 563 | call dcopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call dcopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 563 | call dcopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intd_init.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intbd_2e4c.F:283:29: 227 | call dcopy (numint,eri,1,scr,1) | 2 ...... 283 | call dcopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call dcopy (numint,eri,1,scr,1) | 2 ...... 293 | call dcopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... intbdd_2e4c.F:234:25: 234 | call dcopy (numint,eri,1,scr,1) | 1 ...... 284 | call dcopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... intd_1epot_cosmo.F:140:48: 140 | & scrsize,scr(offset),nint,H1a,efc_c,efc_q,nefc) | 1 Warning: Rank mismatch in argument 'efc_q' at (1) (scalar and rank-1) Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_hf1sp.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ | Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in int grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in auxil grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling do_chk_sum.F... Compiling intb_chk_sum.F... intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... int_spcart.F:824:39: 824 | call dcopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call dcopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call dcopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call dcopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call dcopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call dcopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call dcopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call dcopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call dcopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call dcopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call dcopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call dcopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call dcopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call dcopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call dcopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call dcopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nmcoef2c.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in ints_sp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling sp1111.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in deriv grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here Compiling hfdkei.F... Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in texas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling abcd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling texas_face.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(4) texas_face.F:1467:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1467 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1556:19: 1556 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (56 vs 336 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (280 vs 336 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (760008 vs 12 bytes) texas_face.F:1761:25: 1761 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (12 vs 760008 bytes) texas_face.F:1921:25: 1921 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (12 vs 760008 bytes) Compiling texas_hf.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(4) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) Compiling big_service.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(4) Compiling assemblx.F... assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(4) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(4) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) Compiling spec_block.F... spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(4) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(4) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(4) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(4) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(4) Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(4) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(4) Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(4) precalc2.F:1611:72: 1611 | fctp= abs( est_ip*est_js ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here precalc2.F:567:72: 567 | fctp= abs( est_ip*est_js ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here precalc2.F:572:72: 572 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling prepint.F... Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(4) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(4) Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :10:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(4) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(4) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(4) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(4) Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(4) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in ecp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ecp_sph_tens.f... Compiling int_ecp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... ecp_cart_xpd.F:117:32: 102 | call dcopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call dcopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in hondo grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hnd_vstat.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bx' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'by' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:40: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ax' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:44: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ay' is used uninitialized [-Wuninitialized] hnd_sxyz.F:18:48: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'az' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:66:72: 66 | pz=pz*bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bz' was declared here Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in rel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_rel_init.F... Compiling rel_input.F... rel_input.F:73:64: 46 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 73 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rel_onel.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:207:14: 207 | if (doV) call ecp_matpr(V(i,1),1,n_all_b,1,n_all_a, | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] rel_oneld_cosmo.F:113:17: 113 | logical doV ! compute potential (True/False) | ^ note: 'dov' was declared here Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making all in dk grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling int_1edk_ga.F... int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dk_input.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling bas_create_uncont.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a intgrl_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a Making libraries in atomscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling orderd.F... Compiling atcond.F... Compiling denat.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a Making libraries in ddscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... scf_lindep.F:77:51: 67 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 77 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ga_atom_blk.F... Compiling scf.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling scf_input.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_init.F... Compiling vectors_inp.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling int_1e_ga.F... Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(4)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(4)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_rotate.F... Compiling movecs_molden.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... movecs_lock.F:77:26: 62 | call dcopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call dcopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rohf_canon.F... rohf_canon.F:98:17: 87 | $ zero, g_movecs) | 2 ...... 98 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:17: 87 | $ zero, g_movecs) | 2 ...... 100 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:104:20: 87 | $ zero, g_movecs) | 2 ...... 104 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:106:20: 87 | $ zero, g_movecs) | 2 ...... 106 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:108:20: 87 | $ zero, g_movecs) | 2 ...... 108 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:110:20: 87 | $ zero, g_movecs) | 2 ...... 110 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... scf_get_info.F:361:58: 361 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 548 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... rohf_fock.F:252:25: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 252 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:252:46: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 252 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:266:25: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 266 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:266:46: 120 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 266 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rohf_fock2g.F... Compiling scf_movecs.F... scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... riscf_trans.F:93:61: 61 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 93 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling uhf.F... uhf.F:1494:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 1494 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1172:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1172 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). uhf.F:781:23: 397 | call ga_print(g_movecs) | 2 ...... 781 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:782:23: 397 | call ga_print(g_movecs) | 2 ...... 782 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:862:29: 222 | if (.not. ga_destroy(cuhf_g_falpha)) call errquit | 2 ...... 862 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) uhf.F:886:23: 397 | call ga_print(g_movecs) | 2 ...... 886 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:887:23: 397 | call ga_print(g_movecs) | 2 ...... 887 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1021:23: 397 | call ga_print(g_movecs) | 2 ...... 1021 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1022:23: 397 | call ga_print(g_movecs) | 2 ...... 1022 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1033:23: 397 | call ga_print(g_movecs) | 2 ...... 1033 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1034:23: 397 | call ga_print(g_movecs) | 2 ...... 1034 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1067:32: 397 | call ga_print(g_movecs) | 2 ...... 1067 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling localize.F... localize.F:75:24: 75 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 501 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:77:24: 77 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 597 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:82:24: 82 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 501 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:84:24: 84 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 597 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:123:39: 123 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:133:36: 133 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:142:36: 142 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:192:39: 192 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:202:36: 202 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:211:36: 211 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) Compiling int_dip_ga.F... Compiling fock_xc.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling fock_2e_cam.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_hessv2_ext.F... uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling schwarz_atom.F... Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling int2e_file.F... Compiling ao_replicated.F... ao_replicated.F:977:72: 977 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:905:17: 905 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:977:72: 977 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:905:22: 905 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here Making all in fast grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xlm_poles.F... Compiling cheby.F... Compiling fastj.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here Compiling anlfit.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here Compiling vsint.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling pot_shell.F... pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] Compiling fastj_direct.F... Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:1143:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1143 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). newfmm.F:1143:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1143 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here Compiling potential.F... Compiling sint.F... sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(4) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(4) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a Making libraries in gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling gradients.F... Compiling grad_force.F... grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling ga_reorder.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling grad2.F... Compiling grad_getdens.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a Making libraries in moints grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling atwtest.F... Compiling direct_mp2.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mointdriver.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling moints_stats.F... moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_full.F... moints_full.F:856:42: 603 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 856 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_full.F:857:52: 686 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 857 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_full.F:166:55: 166 | $ call errquit('moints: failed to alloc irs ',nmo, MA_ERR) | 1 ...... 759 | call errquit('moints: unknown integral format',0, INPUT_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) moints_full.F:168:55: 168 | $ call errquit('moints: failed to alloc map ',nmo, MA_ERR) | 1 ...... 759 | call errquit('moints: unknown integral format',0, INPUT_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) moints_full.F:186:11: 97 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 186 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). moints_full.F:353:72: 353 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(4) Compiling sifs0.F... Compiling sifs1.F... sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) sifs1.F:2595:23: 455 | call ifill( nndxf(nsym+1), 0, kntin, 1 ) | 2 ...... 2595 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(1)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1728:22: 1728 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(4) to INTEGER(2) moints_aodisk.F:925:23: 925 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_aodisk.F:925:34: 925 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). moints_aodisk.F:999:72: 999 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(4) moints_aodisk.F:999:72: 999 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1168:38: 1168 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1175:41: 1175 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1288:72: 1288 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(4) to INTEGER(2) moints_aodisk.F:1615:29: 1615 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1623:72: 1623 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1575:35: 1575 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1661:29: 1661 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1727 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1669:18: 1669 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(4) to INTEGER(2) Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_aux2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a Making libraries in nwdft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwdft.F... nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Making all in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in input_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_inpana.F... dft_inpana.F:1000:23: 991 | if (.not.rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,e_conv)) | 2 ...... 1000 | & mt_int, 1, itol2e)) itol2e=8 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). dft_inpana.F:1020:23: 1004 | & mt_int, 1, itol2e)) | 2 ...... 1020 | & mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_inpana.F:216:53: 216 | if (.not. rtdb_put(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 ...... 1004 | & mt_int, 1, itol2e)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_rdinput.F... dft_rdinput.F:97:52: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 97 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_rdinput.F:204:23: 108 | & mt_log, 1, nodamping)) | 2 ...... 204 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_rdinput.F:496:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 496 | & lcfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:498:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 498 | & mt_log, numfunc, lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:503:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 503 | & nlcfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:505:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 505 | & mt_log, numfunc, nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:510:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 510 | & lxfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:512:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 512 | & mt_log, numfunc, lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:517:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 517 | & nlxfac))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:519:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 519 | & mt_log, numfunc, nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:524:9: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 524 | & xccomb))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:526:29: 108 | & mt_log, 1, nodamping)) | 2 ...... 526 | & mt_log, numfunc, xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:818:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 818 | & lcfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:820:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 820 | & mt_log, numfunc, lcfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:825:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 825 | & nlcfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:827:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 827 | & mt_log, numfunc, nlcfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:841:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 841 | & lxfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:843:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 843 | & mt_log, numfunc, lxfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:848:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 848 | & nlxfac_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:850:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 850 | & mt_log, numfunc, nlxfac_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:864:14: 71 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 864 | & xccomb_fde))then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:866:33: 108 | & mt_log, 1, nodamping)) | 2 ...... 866 | & mt_log, numfunc, xccomb_fde)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_input.F... dft_input.F:182:53: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 182 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_input.F:467:7: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 467 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:470:7: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 470 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:603:24: 400 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 603 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). dft_input.F:902:52: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 902 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:904:50: 166 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 904 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tol_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling grid_inp.F... grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling xc_inp.F... xc_inp.F:3823:55: 3619 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 3823 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling conv_inp.F... conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). conv_inp.F:389:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 389 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:405:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 405 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cdft_inp.F... cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling occup_input.F... occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in scf_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory Compiling dft_swapab.F... Compiling dft_main0d.F... dft_main0d.F:117:59: 114 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dft_main0d.F:135:50: 129 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 135 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling dft_scf.F... dft_scf.F:268:43: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 268 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_scf.F:364:7: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 364 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:367:7: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 367 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:418:53: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 418 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:709:61: 322 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 709 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf.F:1034:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1034 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1035:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1035 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1036:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1036 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1037:62: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1037 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1041:61: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1041 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1682:32: 1680 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1681 | call ecce_print1 ('iterative total energy difference', 1682 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf.F:2356:53: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2356 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2358:51: 258 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2358 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_irrep_occp.F... Compiling dft_fockbld.F... dft_fockbld.F:118:42: 113 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 118 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_fockbld.F:407:21: 172 | call ga_zero(g_fock) | 2 ...... 407 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_fockbld.F:410:34: 189 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 410 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_fockbld.F:618:27: 292 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 618 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_scfutil.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_frac_mo.F... dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_nwmolden.F... dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_spinflip.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory Compiling dft_dencvg.F... Compiling dft_densm.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... cdft_util.F:678:72: 678 | $ call errquit('derivatives: cannot allocate gtia)',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) cdft_util.F:733:72: 733 | $ call errquit('cdft_deriv: cannot pop stack',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) cdft_util.F:964:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 964 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/sh: line 1: /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/bin/ga-config: No such file or directory Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in scf_dft_cg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_cscf.F... Compiling dft_cg_answer.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling dft_cg_info.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... dft_cg_solve.F:115:48: 111 | if (.not.rtdb_get(rtdb,'movecs:tanalyze',MT_DBL,1,tanalyze)) | 2 ...... 115 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling dft_roks_fock.F... dft_roks_fock.F:383:72: 383 | $ tol2e, oskel, iv_dens, g_tmp, .false., .false.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:406:72: 406 | $ tol2e, oskel, iv_dens, g_tmp, .false., .true.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling dft_roks_hessv_2e.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... dft_uks_energy.F:209:72: 209 | & oskel, d, g_tmp, .false., .false.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_uks_energy.F:229:72: 229 | & oskel, d, g_tmp, .false., .false.) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in so_dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_scf_so.F... dft_scf_so.F:311:37: 305 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 311 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_scf_so.F:708:60: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 708 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf_so.F:1290:48: 1254 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1290 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1887:32: 1885 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1886 | call ecce_print1 ('iterative total energy difference', 1887 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_scf_so.F:2327:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2327 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2352:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2352 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling dft_gradients_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling vectors_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling movecs_anal_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... sym_mo_adapt_so.F:434:30: 433 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 434 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling xc_exso.F... Compiling getv_coul_cd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_3cincor.F... Compiling dft_mem3c.F... Compiling dft_fitcd.F... dft_fitcd.F:91:33: 89 | call dcopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 90 | else 91 | call dcopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:190:25: 89 | call dcopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 190 | call dcopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... xc_util.F:344:57: 313 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 344 | if (.not.rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). xc_util.F:399:54: 391 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 399 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_eval_basis.F... xc_eval_basis.F:2528:20: 1029 | call dcopy(nq, drad, 1, chi, 1) | 2 ...... 2528 | call dcopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:1172:43: 1168 | & rho, delrho, Amat, Cmat, nq, ipol, | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). xc_eval_fnl.F:1172:49: 1168 | & rho, delrho, Amat, Cmat, nq, ipol, | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). xc_eval_fnl.F:1172:56: 1169 | & Ex, qwght,ldew,func) | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). xc_eval_fnl.F:1172:60: 1169 | & Ex, qwght,ldew,func) | 2 ...... 1172 | & rho, delrho, Amat, Amat2, Cmat, Cmat2, nq, ipol, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). xc_eval_fnl.F:1173:17: 1169 | & Ex, qwght,ldew,func) | 2 ...... 1173 | & Ex, qwght,ldew,func) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). xc_eval_fnl.F:1173:72: 1173 | & Ex, qwght,ldew,func) | 1 Warning: More actual than formal arguments in procedure call at (1) xc_eval_fnl.F:1798:29: 1798 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:1798:43: 1798 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_fd.F... xc_fd.F:65:72: 65 | & dbl_mb(i_prho), dbl_mb(i_pdelrho)) | 1 Warning: Type mismatch in argument 'npert' at (1); passed LOGICAL(4) to INTEGER(4) Compiling xc_pbe96.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumdt' is used uninitialized [-Wuninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumda' is used uninitialized [-Wuninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:1155:72: 1155 | 8 (fAtden4) | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdt2' was declared here xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at10' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at11' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at3' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at4' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at5' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at6' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at7' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at8' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' was declared here Compiling xc_cm05.F... xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... xc_att_xc.F:91:72: 91 | a2_first = f01*a | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_att_xc.F:36:24: 36 | double precision a, b, c, btmp,bfactor | ^ note: 'a' was declared here xc_att_xc.F:36:24: 36 | double precision a, b, c, btmp,bfactor | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_att_xc.F:108:72: 108 | a3_second = a*f02 | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_att_xc.F:36:24: 36 | double precision a, b, c, btmp,bfactor | ^ note: 'a' was declared here Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_vdw_main.F... xc_vdw_main.F:656:53: 619 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 656 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling xc_vdw_util.F... Compiling xc_xsogga.F... xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:266:72: 266 | fa2 = CxA2 *Ffrac**F2 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa2' was declared here xc_xsogga.F:267:72: 267 | fa3 = CxA3 *Ffrac**F3 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa3' was declared here xc_xsogga.F:268:72: 268 | fa4 = CxA4 *Ffrac**F4 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa4' was declared here xc_xsogga.F:269:72: 269 | fa5 = CxA5 *Ffrac**F5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa5' was declared here xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:272:72: 272 | fb2 = CxB2 *Fexp**F2 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb2' was declared here xc_xsogga.F:273:72: 273 | fb3 = CxB3 *Fexp**F3 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb3' was declared here xc_xsogga.F:274:72: 274 | fb4 = CxB4 *Fexp**F4 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb4' was declared here xc_xsogga.F:275:72: 275 | fb5 = CxB5 *Fexp**F5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_csogga.F... xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:190:72: 190 | fa2 = CcA(2) *Ffrac**F2 | ^ Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[2]' was declared here xc_csogga.F:191:72: 191 | fa3 = CcA(3) *Ffrac**F3 | ^ Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[3]' was declared here xc_csogga.F:192:72: 192 | fa4 = CcA(4) *Ffrac**F4 | ^ Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[4]' was declared here xc_csogga.F:193:72: 193 | fa5 = CcA(5) *Ffrac**F5 | ^ Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[5]' was declared here xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:196:72: 196 | fb2 = CcB(2) *Fexp**F2 | ^ Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[2]' was declared here xc_csogga.F:197:72: 197 | fb3 = CcB(3) *Fexp**F3 | ^ Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[3]' was declared here xc_csogga.F:198:72: 198 | fb4 = CcB(4) *Fexp**F4 | ^ Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[4]' was declared here xc_csogga.F:199:72: 199 | fb5 = CcB(5) *Fexp**F5 | ^ Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[5]' was declared here Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:67:11: 67 | CC00 = 1.00000D+00 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:68:11: 68 | CC01 = 5.07880D-01 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:69:11: 69 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:70:11: 70 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:71:11: 71 | CC10 = 8.60211D-02 | ^ note: 'cc10' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:72:11: 72 | CC11 = -1.71008D+01 | ^ note: 'cc11' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:73:11: 73 | CC12 = 6.50814D+01 | ^ note: 'cc12' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:74:11: 74 | CC13 = -7.01726D+01 | ^ note: 'cc13' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:75:11: 75 | CC20 = -3.90755D-01 | ^ note: 'cc20' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:76:11: 76 | CC21 = 5.13392D+01 | ^ note: 'cc21' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:77:11: 77 | CC22 = -1.66220D+02 | ^ note: 'cc22' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:78:11: 78 | CC23 = 1.42738D+02 | ^ note: 'cc23' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:79:11: 79 | CC30 = 4.03611D-01 | ^ note: 'cc30' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:80:11: 80 | CC31 = -3.44631D+01 | ^ note: 'cc31' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:81:11: 81 | CC32 = 7.61661D+01 | ^ note: 'cc32' was declared here xc_xn12.F:136:72: 136 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:82:11: 82 | CC33 = -2.41834D+00 | ^ note: 'cc33' was declared here Compiling xc_xscan.F... xc_xscan.F:330:72: 330 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:150:28: 150 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:141:42: 141 | double precision regalpha, dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:277:72: 277 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:29: 145 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:228:72: 228 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:141:31: 141 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:294:72: 294 | dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53) | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:131:32: 131 | double precision p, p14, a, g2 | ^ note: 'a' was declared here xc_xscan.F:319:72: 319 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:139:45: 139 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:325:72: 325 | dFada = -rD*exp5*rC2/oma2*dregalpha | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:139:51: 139 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:333:72: 333 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:155:32: 155 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:332:72: 332 | dFxdr = dFxda*dadr + dFxdp*dpdr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:155:42: 155 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadr' was declared here xc_xscan.F:155:37: 155 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cscan.F... xc_cscan.F:111:33: 111 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:337:72: 337 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:111:26: 111 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:274:72: 274 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:131:31: 131 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_cscan.F:319:72: 319 | dalphadn = 5d0/3d0*(p-alpha)*tueg/((tueg+1d-4)*ntot) | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:28: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here xc_cscan.F:337:72: 337 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:58: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:328:72: 328 | & ntot*(dEc1dn + fca*(dEc0dn-dEc1dn) + dfcadn*(Ec0-Ec1)) | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:49: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:342:72: 342 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:109:67: 109 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here xc_cscanl.F:361:72: 361 | Lmat(n,2) = Lmat(n,2) + ntot*dfcadt*dtdlb*(Ec0-Ec1) | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdlb' was declared here xc_cscanl.F:355:72: 355 | Amat(n,2) = Amat(n,2) + vcn + ntot*dfcadt*(Ec0-Ec1)*dtdnb | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdnb' was declared here Compiling ts_pc.F... Compiling xc_xncap.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in util grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_save_mats.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_frozemb_fde.F:357:41: 357 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:489:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 489 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... dft_utilmap.F:68:41: 68 | integer lo(3),hi(3),ld(2),ld12,offs | ^ Warning: 'offs' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_genutils.F... dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in grid grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... grid_setrad.F:111:58: 41 | & tol_reset)) tol_reset = .true. | 2 ...... 111 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling grid_setang.F... Compiling grid_invariant.F... grid_invariant.F:235:19: 151 | call dcopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call dcopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call dcopy(9,qrot,1,c,1) | 1 ...... 151 | call dcopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_acc_def.F:304:57: 285 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 304 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grid_acc_def.F:557:56: 388 | & job_grid_acc)) | 2 ...... 557 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling grid_qpts.F... Compiling grid_quadv0.F... grid_quadv0.F:599:51: 201 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 599 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:750:60: 188 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 750 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grid_quadv0.F:882:47: 201 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 882 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:790:72: 790 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here Compiling grid_quadv0a.F... grid_quadv0a.F:234:34: 234 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 271 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0a.F:240:9: 240 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:62:27: 62 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here Compiling grid_quadv0b.F... grid_quadv0b.F:279:11: 266 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 279 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grid_quadv0b.F:279:30: 266 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 279 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grid_quadv0b.F:701:28: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 701 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:726:48: 667 | & 0d0,0d0,0d0,0d0, | 2 ...... 726 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:726:53: 667 | & 0d0,0d0,0d0,0d0, | 2 ...... 726 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:734:29: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 734 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:759:29: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 759 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:782:26: 676 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 782 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:431:72: 431 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in dftgrad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... dft_gradients.F:530:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 530 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dft_gradients.F:557:22: 536 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 557 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dft_gradients.F:602:34: 600 | call intdd_init(rtdb,2,nmo) | 2 601 | else 602 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:643:33: 641 | call intd_init(rtdb,2,nmo) | 2 642 | else 643 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... dftg_gridv0a.F:139:56: 136 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 139 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dftg_gridv0a.F:154:72: 154 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dftg_gridv0.F... dftg_gridv0.F:188:9: 170 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 188 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dftg_gridv0.F:30:28: 30 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:30:33: 30 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) dftg_gridv0.F:32:72: 32 | 1 0, .false.) | 1 Warning: Type mismatch in argument 'triplet' at (1); passed LOGICAL(4) to INTEGER(4) Compiling dftg_gridv0b.F... dftg_gridv0b.F:310:22: 273 | & natoms, 1,1,1, | 2 ...... 310 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:543:14: 518 | & 0d0,0,3*ncuratoms, | 2 ...... 543 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dftg_griddo.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dftg_cdfit.F... dftg_cdfit.F:30:43: 30 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:30:48: 30 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:30:51: 30 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... Compiling dftg_gridsswold.F... Compiling dftg_signf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in lr_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tddft_energy.F... tddft_energy.F:155:54: 148 | if (.not.rtdb_get(rtdb,'tddft:lanczos',mt_log,1,llanczos)) | 2 ...... 155 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_energy.F:299:56: 201 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 299 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling tddft_input.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_init.F... tddft_init.F:148:55: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 148 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tddft_init.F:195:56: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 195 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:197:57: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 197 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:199:56: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 199 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:201:57: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:203:57: 136 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 203 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:243:52: 233 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 243 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tddft_init.F:375:57: 233 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 375 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:377:55: 233 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 377 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_memory.F... Compiling tddft_iguess.F... tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling tddft_dump.F... Compiling tddft_davidson.F... tddft_davidson.F:260:51: 252 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 260 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... tddft_analysis.F:240:46: 215 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 240 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_analysis.F:1736:53: 1419 | + 1,osc_str)) then | 2 ...... 1736 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1755:40: 1419 | + 1,osc_str)) then | 2 ...... 1755 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1763:40: 1419 | + 1,osc_str)) then | 2 ...... 1763 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... tddft_lanczos.F:143:10: 141 | 1 xc_active_save)) xc_active_save=.false. | 2 142 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 143 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_lanczos.F:147:60: 144 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 147 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_lanczos_tda.F... tddft_lanczos_tda.F:143:10: 141 | 1 xc_active_save)) xc_active_save=.false. | 2 142 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 143 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_lanczos_tda.F:147:60: 144 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 147 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_prod_v.F:159:51: 157 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 158 | & lecut = .false. 159 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in lr_tddft_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tddft_gradient.F... tddft_gradient.F:153:55: 142 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 153 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tddft_gradient.F:471:61: 202 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 471 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tddft_gradient.F:482:49: 142 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 482 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_init.F... tddft_grad_init.F:175:56: 171 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 175 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). tddft_grad_init.F:197:53: 171 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 197 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:407:24: 171 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 407 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_input.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... tddft_grad_compute_r.F:632:60: 176 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 632 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... tddft_grad_solve_product.F:124:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 124 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... tddft_grad_compute_w.F:566:60: 475 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 566 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tddft_grad_compute_w.F:1170:60: 454 | if (.not.nga_create(mt_dbl,3,idim,'vec Puv',ichnk,g_puv)) | 2 ...... 1170 | if (.not.nga_create(mt_dbl,2,idim,"transpose",ichnk,g_t)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_w.F:1192:28: 494 | if (.not.ga_destroy(g_puv)) | 2 ...... 1192 | if (.not.ga_destroy(g_t)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in zora grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_zora_utils.F... dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_utils_so.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_rhos.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(4)). dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:407:0: 407 | #include "zora.fh" ! Added by FA | Warning: extra tokens at end of #include directive dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos_so.F:431:19: 431 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos_so.F:432:19: 432 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling gridNuclearPotential.F... gridNuclearPotential.F:14:0: 14 | #include "global.fh" ! Added for using ga_nodeid() | Warning: extra tokens at end of #include directive gridNuclearPotential.F:75:0: 75 | #include "global.fh" ! Added for using ga_nodeid() | Warning: extra tokens at end of #include directive Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... Compiling zora_getv_sf.F... zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in spec grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dft_vspec.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in rt_tddft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft.F... rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Making all in matutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pack_ga2buffer.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling matutils.F... matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) Compiling dmat_io.F... dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_diag.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_inv.F... zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_checksum.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_spectral_range.F... zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_max_abs_elem.F... zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in rtutils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... rt_tddft_header.F:213:72: 213 | call errquit (pname//"no print options enabled") | 1 Warning: Missing actual argument for argument '_formal_5' at (1) Compiling rt_tddft_output.F... rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_calc.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_geom_mask.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_zdens_tot_movecs.F... Compiling rt_tddft_restart.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_complex_evals.F... rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in input grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft_input_put_defaults.F... rt_tddft_input_put_defaults.F:105:20: 63 | $ mt_log,1,.true.)) | 2 ...... 105 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:216:72: 216 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:465:72: 465 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rt_tddft_input_mocap.F... rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_input.F... rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in init grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rt_tddft_init_coulcdfit.F... Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in canorg grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in propagators grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling exp_diag.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling exp_pseries.F... exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in closedshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making all in openshell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a rt_tddft.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a nwdft.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a Making libraries in rimp2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rimp2_v_e2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a Making libraries in stepper grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). stpr_gh_at.F:372:72: 372 | & call errquit('stpr_gen_hess_at: rtdb_get failed',38) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling stpr_partit.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a Making libraries in driver grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling opt_drv.F... opt_drv.F:3441:23: 3440 | call ga_brdcst(1,ds,8*nvar,0) | 2 3441 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1949:23: 1949 | call ga_brdcst(2,alpha,8,0) | 1 ...... 3440 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2825:50: 2474 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2825 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). opt_drv.F:3675:11: 2474 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3675 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:955:26: 955 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3440 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling oniom.F... oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling lbfgs.F... Compiling lbfgs-b.F... lbfgs-b.F:4401:50: 4399 | do 30 j = 2, n | 2 4400 | temp = -b(j-1) 4401 | call daxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:17: 4399 | do 30 j = 2, n | 2 ...... 4402 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:24: 4399 | do 30 j = 2, n | 2 ...... 4402 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:31: 4399 | do 30 j = 2, n | 2 ...... 4402 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:17: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:24: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:42: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:17: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) 4441 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:24: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) 4441 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:31: 4439 | do 120 j = 2, n | 2 4440 | b(j) = b(j) - ddot(j-1,t(1,j),1,b(1),1) 4441 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) Compiling lbfgs_driver.F... lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling lbfgs_utils.F... Compiling socket_driver.F... socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a Making libraries in optim grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in deloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling deloc_driver.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling deloc.F... Compiling deloc_utils.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in mepgs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mepgs_drv.F... mepgs_drv.F:1509:56: 1509 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1622:58: 1622 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2539:50: 2539 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). mepgs_drv.F:3238:23: 3237 | call ga_brdcst(1,ds,8*nvar,0) | 2 3238 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1865:54: 1865 | if (.not. rtdb_get(rtdb,'gsopt:hscale',mt_dbl,1,hscale)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1928:26: 1928 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3237 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). mepgs_drv.F:2005:53: 2005 | if (.not. rtdb_get(rtdb,'gsopt:eprec',mt_dbl,1,eprec)) then | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2014:56: 2014 | if (.not. rtdb_get(rtdb,'gsopt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2016:56: 2016 | if (.not. rtdb_get(rtdb,'gsopt:grms_tol',mt_dbl,1,grms_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2018:56: 2018 | if (.not. rtdb_get(rtdb,'gsopt:xmax_tol',mt_dbl,1,xmax_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2020:56: 2020 | if (.not. rtdb_get(rtdb,'gsopt:xrms_tol',mt_dbl,1,xrms_tol)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:2032:54: 2032 | if (.not. rtdb_get(rtdb,'gsopt:sadstp',mt_dbl,1,sadstp)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:492:58: 492 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1140 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(4)). mepgs_drv.F:711:54: 711 | if (.not. rtdb_get(rtdb,'gsopt:hscale',mt_dbl,1,hscale)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:3518:58: 3450 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3518 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mepgs_drv.F:249:52: 249 | if (.not. rtdb_get(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:251:54: 251 | if (.not. rtdb_get(rtdb,'mepgs:stride',mt_dbl,1,stride)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:47:58: 47 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:108:56: 108 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 1 ...... 2961 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a mepgs_drv.o mepgs_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in tropt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tropt_drv.F... tropt_drv.F:2277:11: 1857 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2277 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tropt_drv.F:2799:23: 2798 | call ga_brdcst(1,ds,8*nvar,0) | 2 2799 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:956:26: 956 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 2798 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a tropt_drv.o tropt_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in neb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling neb_input.F... neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling neb_drv.F... neb_drv.F:92:50: 77 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 92 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). neb_drv.F:848:54: 676 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 848 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling neb_utils.F... neb_utils.F:751:54: 715 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 751 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling bead_list.F... bead_list.F:1122:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1122 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a Making all in string grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling string.F... string.F:476:58: 472 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 476 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). string.F:1689:33: 595 | call dcopy(ng,coords,1,coords_old,1) | 2 ...... 1689 | call dcopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1722:59: 842 | > mt_int,1,print_count)) | 2 ...... 1722 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a string.o string_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in cphf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cphf.F... Compiling cphf_poliz.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cphf_solve.F... cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cphf_solve2.F... cphf_solve2.F:165:11: 158 | $ lshift)) lshift=0.0 | 2 ...... 165 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cphf_solve2.F:237:61: 234 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 237 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cphf_solve3.F... cphf_solve3.F:226:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 226 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cphf_solve3.F:341:61: 338 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 341 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cphf_solve4.F... cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a Making libraries in ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... aoccsd2.F:521:54: 313 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 521 | if (.not. rtdb_get(rtdb, 'ccsd:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ccsd_iterdrv2.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a Making libraries in vib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling vib_thermo.F... Compiling vib_phonon.F... vib_phonon.F:1126:30: 1124 | call dscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1125 | call zheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1126 | call dscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 583 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) Compiling vib_zone_input.F... vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling vib_input.F... vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vib_callg.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a Making libraries in mcscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mcscf.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling mcscf_b.F... mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_aux.F... mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_ci.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Making all in detci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling detci_aux.F... Compiling detci_intf.F... detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a Making libraries in prepar grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_links.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a Making libraries in esp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling esp_input.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_wrtinp.F... Compiling esp_jacobi.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a Making libraries in hessian grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hess_blas.F... hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_input.F... hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Making all in analytic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hess_anal.F... Compiling hess_init.F... hess_init.F:196:57: 163 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 196 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hess_init.F:237:55: 163 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 237 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_energyinit.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling hess_check.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... onedd_cont.F:191:72: 191 | * doS,doT,doV,geom,basis,ncent,2) | 1 Warning: More actual than formal arguments in procedure call at (1) onedd_cont.F:200:72: 200 | * doS,doT,doV,geom,basis,ncent,1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling get_wdens.F... Compiling onedd_calc.F... Compiling hess_dipder.F... Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call dcopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... Making all in dft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_d2expl.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dft_3dacc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a hess_blas.o hess_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a Making libraries in selci grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_output.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:108:16: 108 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here tqlrat.f:138:72: 138 | p = g * h | ^ Warning: 'g' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:30: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'g' was declared here tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling popcnt32.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:265:23: 187 | call ifill(nuw,0,u,1) | 2 ...... 265 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(4) to LOGICAL(1) Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:186:26: 168 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 186 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). davids.F:102:72: 102 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(4) davids.F:102:72: 102 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(4) Compiling sigma.F... Compiling conf.F... conf.F:467:72: 467 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(4) conf.F:467:72: 467 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(4) conf.F:173:54: 117 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 173 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). conf.F:58:72: 58 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(4) conf.F:62:72: 62 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(4) conf.F:62:72: 62 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(4) conf.F:67:72: 67 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(4) conf.F:67:72: 67 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(4) Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... selci_select.F:47:24: 45 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 46 | call ga_brdcst(9,iwpt,mitob(1),0) 47 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). selci_select.F:124:25: 45 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 124 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling selci.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ptidy.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a Making libraries in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dplot.F... dplot.F:106:52: 86 | & lgaussian)) then | 2 ...... 106 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). dplot.F:447:72: 447 | Call dcopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ note: 'atom_off' was declared here Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... dplot_input.F:297:58: 293 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 297 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ao_rdm_read.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_diffden.F... get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a Making libraries in mp2_grad grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mp2_grad.F... mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_energy.F... mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mp2_grad_doit.F... mp2_grad_doit.F:143:50: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 1 ...... 560 | $ MT_INT, 1, mp2_eaftype)) mp2_eaftype= | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mp2_back_transform.F... mp2_back_transform.F:376:55: 373 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 376 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mp2_back_transform.F:88:41: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shdim' at (1) (rank-1 and scalar) mp2_back_transform.F:88:47: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shlo' at (1) (rank-1 and scalar) mp2_back_transform.F:88:53: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shpairs' at (1) (rank-2 and scalar) mp2_back_transform.F:88:59: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'shpairslocal' at (1) (rank-2 and scalar) mp2_back_transform.F:88:65: 88 | $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) | 1 Warning: Rank mismatch in argument 'map' at (1) (rank-1 and scalar) Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_wijab_uhf.F... mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_lai_uhf.F... mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mp2_make_tuhf.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a Making libraries in qhop grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qhop_setup.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qhop_pindex.F... Compiling qhop_final.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a Making libraries in property grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling hnd_efgmap.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_efgmap.F:250:49: 248 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 249 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 250 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_efgmap_z4.F... hnd_efgmap_z4.F:24:0: 24 | #include "msgids.fh" ! Added by FA - for NLMO analysis | Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:25:0: 25 | #include "zora.fh" ! Added by FA | Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:926:0: 926 | #include "msgids.fh" ! Added by FA - for tag msg_efgs_col | Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elfmap.F... hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elpmap.F... hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... hnd_elfcon_symm.F:35:0: 35 | #include "zora.fh" ! for lbl_nlmo | Warning: extra tokens at end of #include directive Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here Compiling prop_input.F... prop_input.F:848:43: 830 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 848 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). prop_input.F:390:26: 390 | if (inp_f(iso)) then | 1 ...... 838 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling prop.F... prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... wefgfile.F:49:0: 49 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive Compiling whypfile.F... whypfile.F:58:0: 58 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling wgshiftfile.F... wgshiftfile.F:58:0: 58 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here Compiling wshldfile.F... wshldfile.F:51:0: 51 | #include "zora.fh" ! FA-04-24-10 | Warning: extra tokens at end of #include directive wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling giaofock.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here Compiling hnd_giaox.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_hyperfine_zora.F... hnd_hyperfine_zora.F:764:0: 764 | #include "zora.fh" ! for num NMRCS-Z4 | Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:849:0: 849 | #include "zora.fh" ! for hyperfine | Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here Compiling hnd_gshift_zora.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_coul' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_exch' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_nojk' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5204:72: 5204 | par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_esji' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:44: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_esji' was declared here hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here Compiling hnd_giaox_zora.F... hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_giao_1ega.F... int_giao_1ega.F:146:10: 146 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:160:72: 160 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... Compiling hnd_spinspin.F... hnd_spinspin.F:299:54: 291 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 299 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aoresponse_driver_new.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling int_mpole_1ega.F... Compiling aoresponse.F... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling aoresponse_beta.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling fiao_f1_movecs.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling aor_r1_tensor.F... aor_r1_tensor.F:390:72: 390 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:127:52: 127 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_tensor_giao.F... Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:354:26: 216 | & mt_int, 1,ndata)) call | 2 ...... 354 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling fiao_b1_movecs.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling aoresponse_giao_rhs.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling get_alfaorbeta_reim.F... get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling CalcPerturbedTDPmat1.F... Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... localization_driver.F:348:53: 199 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 348 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:394:53: 199 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 394 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... giao_b1_movecs_tools.F:75:60: 61 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 2 ...... 75 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... task_raman.F:521:51: 483 | & rmmodes*4, rminfo)) | 2 ...... 521 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_raman.F:740:72: 740 | & call errquit(pname//'geom_rtdb_store failed',5) | 1 Warning: Missing actual argument for argument '_formal_21' at (1) task_raman.F:780:72: 780 | & call errquit(pname//'geom_rtdb_store failed',5) | 1 Warning: Missing actual argument for argument '_formal_21' at (1) task_raman.F:83:57: 83 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 714 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). task_raman.F:152:53: 152 | if (.not. rtdb_get(rtdb,'raman:width',mt_dbl,1,width)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:154:57: 154 | if (.not. rtdb_get(rtdb,'raman:step_size',mt_dbl,1,step_size)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:158:51: 158 | if (.not. rtdb_get(rtdb,'raman:low',mt_dbl,1,low)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:160:52: 160 | if (.not. rtdb_get(rtdb,'raman:high',mt_dbl,1,high)) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_raman.F:191:14: 191 | G gamwidth) | 1 ...... 483 | & rmmodes*4, rminfo)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling raman_input.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling raman.F... raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). raman.F:1160:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1160 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling waimfile.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling hnd_eldmap_grid.F... hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling prop_moldenfile.F... Compiling prop_grid.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling prop_polfromsos.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a Making libraries in solvation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mnsol_mem.F... Compiling mnsol_interface.F... mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mnsol.F... mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(4) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(4) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(4) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(4) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling hnd_cosmo_lib.F... hnd_cosmo_lib.F:722:55: 719 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 722 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hnd_cosmo_lib.F:2167:46: 691 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 2167 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). hnd_cosmo_lib.F:2411:72: 2411 | 1 x(i40),x(i50),ierr,nodcmp) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) hnd_cosmo_lib.F:2427:72: 2427 | 1 x(i40),x(i50),ierr,nodcmp) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(4) hnd_cosmo_lib.F:2788:53: 719 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 2788 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cosmo_input.F... cosmo_input.F:176:51: 172 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 176 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cosmo_initialize.F... cosmo_initialize.F:164:34: 162 | call ga_brdcst(msg_cosmo0,nmap, | 2 163 | > ma_sizeof(mt_int,1,mt_byte),0) 164 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cosmo_initialize.F:300:52: 291 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd) | 2 ...... 300 | status = rtdb_get(rtdb,'cosmo:rsolv',mt_dbl,1,rsolv) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cosmo_initialize.F:353:54: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 353 | if (.not. rtdb_put(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:355:57: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 355 | if (.not. rtdb_put(rtdb,'cosmo:dielecinf',mt_dbl,1,dielecinf)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:357:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 357 | if (.not. rtdb_put(rtdb,'cosmo:sola',mt_dbl,1,sola)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:359:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 359 | if (.not. rtdb_put(rtdb,'cosmo:solb',mt_dbl,1,solb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:361:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 361 | if (.not. rtdb_put(rtdb,'cosmo:solc',mt_dbl,1,solc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:363:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 363 | if (.not. rtdb_put(rtdb,'cosmo:solg',mt_dbl,1,solg)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:365:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 365 | if (.not. rtdb_put(rtdb,'cosmo:solh',mt_dbl,1,solh)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:367:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 367 | if (.not. rtdb_put(rtdb,'cosmo:soln',mt_dbl,1,soln)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cosmo_initialize.F:369:52: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 369 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cosmo_initialize.F:453:53: 170 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad)) | 2 ...... 453 | $ rtdb_put(rtdb,'cosmo:disp_cosmo_vem',mt_dbl,1,disp_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... cosmo_def_radii.F:270:52: 264 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 270 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling cosmo_charges.F... cosmo_charges.F:100:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 100 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cosmo_charges.F:336:72: 336 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:256:19: 256 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here Compiling grad_hnd_cos.F... grad_hnd_cos.F:176:23: 167 | $ dbl_mb(k_rad)) | 2 ...... 176 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grad_hnd_cos.F:125:47: 125 | double precision rin, rout, alphai, xyzff | ^ Warning: 'xyzff' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:114:28: 114 | double precision zeta1, zeta2, zeta12 | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o hnd_cosmo_lib.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a Making libraries in nwpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_input.F... nwpw_input.F:421:53: 335 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 421 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). nwpw_input.F:1332:33: 1327 | > mt_int,2,loop)) then | 2 ...... 1332 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). nwpw_input.F:1340:33: 1327 | > mt_int,2,loop)) then | 2 ...... 1340 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1495:62: 1327 | > mt_int,2,loop)) then | 2 ...... 1495 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1648:56: 1327 | > mt_int,2,loop)) then | 2 ...... 1648 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_default.F... nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nwpw_vectors_input.F... nwpw_vectors_input.F:219:51: 133 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 219 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:238:51: 133 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 238 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Making all in nwpwlib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in Parallel grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling Parallel.F... Parallel.F:747:19: 626 | call dcopy(n,a,1,b,1) | 2 ...... 747 | call dcopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:811:23: 626 | call dcopy(n,a,1,b,1) | 2 ...... 811 | call dcopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling Parallel-mpi.F... Parallel-mpi.F:577:28: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 577 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:577:34: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 577 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:775:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 775 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:812:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 812 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:812:30: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 812 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:815:19: 778 | call dcopy(n,sumall(1),1,sum,1) | 2 ...... 815 | call dcopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Parallel-mpi.F:865:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 865 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:910:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 910 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:910:30: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 910 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1064:24: 1019 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1064 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1110:24: 1019 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1110 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1609:25: 538 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1609 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1778:24: 1019 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1778 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:2099:27: 1968 | call MPI_IRECV(A2, | 2 ...... 2099 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:2117:27: 1984 | call MPI_ISEND(A1, | 2 ...... 2117 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:2261:20: 2218 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2261 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:2392:20: 2341 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2392 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in D1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling D1dB.F... Compiling Dne.F... Dne.F:3111:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3111 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3114:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3114 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2891:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2891 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2894:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2894 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3076 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3083 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1685:47: 1685 | call dcopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1823 | call dcopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1712:39: 1712 | call dcopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1823 | call dcopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2195:56: 2047 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2195 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2316:52: 2113 | call dscal(ne(ms),sum,U(shift),1) | 2 ...... 2316 | call dscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:5107:46: 4132 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 2 ...... 5107 | > U(indxk), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:5108:46: 4132 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 2 ...... 5108 | > dcpl_mb(A(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:5291:46: 5111 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5291 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6579:22: 4870 | > A(shift2), | 2 ...... 6579 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Dne.F:7712:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7712 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7719:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7719 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7734:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7734 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7741:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7741 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7134:72: 7134 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7089:23: 7089 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling D1dB-mpi.F... D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in D3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling D3dB-new.F... D3dB-new.F:1013:61: 987 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1013 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1074:61: 1047 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1074 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1074:63: 1047 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1074 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1698:72: 1698 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1707:72: 1707 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1793:72: 1793 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1799:72: 1799 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1828:31: 1703 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1845:31: 1590 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1845 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2236:72: 2236 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2396:72: 2396 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2478:31: 2234 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2478 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2495:31: 2291 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2495 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:126:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 126 | int start,direction; | ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:269:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 269 | return direction; | ^~~~~~~~~ hilbert.c:151:9: note: 'direction' was declared here 151 | int direction,parent_direction, | ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... D3dB_pfft.F:4013:35: 3757 | call dcopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4013 | call dcopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2610:24: 2610 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2688 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2610:31: 2610 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2688 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2948:27: 2948 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3065 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2948:34: 2948 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3065 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3463:27: 3463 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3579 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3463:34: 3463 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3579 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3823:24: 3749 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3823 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3823:31: 3749 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3823 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dB-mpi.F... D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:884:28: 795 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 884 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:884:40: 795 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 884 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:952:25: 795 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 952 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1135:17: 669 | call dcopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1135 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1136:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1136 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3263:29: 2772 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3263 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3318:29: 2820 | call MPI_RECV(tmp, | 2 ...... 3318 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3907:72: 3907 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3907:72: 3907 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4147:72: 4147 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4147:72: 4147 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4864:30: 4277 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4864 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5168:72: 5168 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5168:72: 5168 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6113:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6113 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6114:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6114 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:7043:27: 1627 | call MPI_ISEND(A(indx), | 2 ...... 7043 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in Pneb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling Pneb.F... Pneb.F:1460:55: 1459 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 1460 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1044:51: 1044 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 2522 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:820:31: 792 | call dcopy(2*nsize,0.0d0,0,w,1) | 2 ...... 820 | call dcopy(nsize,0.0d0,0,m,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1328:25: 792 | call dcopy(2*nsize,0.0d0,0,w,1) | 2 ...... 1328 | call dcopy(2*nsize,hml,1,gml,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:1385:25: 792 | call dcopy(2*nsize,0.0d0,0,w,1) | 2 ...... 1385 | call dcopy(2*nsize,hml,1,gml,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Pneb.F:1988:72: 1988 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1988:72: 1988 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1988:31: 1988 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:1990:72: 1990 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1994:72: 1994 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1994:72: 1994 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1994:31: 1994 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2245:35: 2245 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 3501 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2245:51: 2245 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 3501 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2424:72: 2424 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2424:72: 2424 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2424:29: 2424 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:3478:72: 3478 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Pneb.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in K1dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a K1dB.o K1dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in C3dB grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling C3dB-new.F... C3dB-new.F:841:40: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 841 | call dcopy(n2ft3d_map(nb),0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:861:34: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 861 | call dcopy(2*nfft3d_map(nb),A,1,B,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). C3dB-new.F:873:32: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 873 | call dcopy(n2ft3d_map(nb),A,1,B,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-new.F:885:32: 828 | call dcopy(2*nfft3d_map(nb),0.0d0,0,A,1) | 2 ...... 885 | call dcopy(nfft3d_map(nb),A,1,B,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-new.F:2035:35: 2009 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2035 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-new.F:2037:35: 2008 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2037 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). C3dB-new.F:3310:39: 3254 | call C3dB_Vector_SumAll(2,sum) | 2 ...... 3310 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:657:24: 470 | call dcopy(2*msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 657 | call dcopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:658:24: 471 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 658 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:681:27: 494 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 681 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:26: 526 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:826:28: 783 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 826 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:826:40: 783 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 826 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:886:25: 783 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 886 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2737:29: 2471 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2737 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2785:29: 2519 | call MPI_RECV(tmp, | 2 ...... 2785 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2893:72: 2893 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:2893:72: 2893 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3302:30: 3021 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 3302 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in DMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1616:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1662:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1662 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1867:25: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1867 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1867:31: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1867 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1918:25: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1918 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1918:31: 1600 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1918 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:2674:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 2674 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:2719:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 2719 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a DMatrix.o DMatrix-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in CMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:801:45: 282 | call dcopy(ne0,0.0,0,Bcol(1+(j-1)*ne0),1) | 2 ...... 801 | call dcopy(2*nc(taskid_j+1)*iwrk,0.0d0,0,work2,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). CMatrix-mpi.F:1269:26: 924 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 ...... 1269 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1482:27: 282 | call dcopy(ne0,0.0,0,Bcol(1+(j-1)*ne0),1) | 2 ...... 1482 | call dcopy(n,0.0d0,0,work1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1522:25: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1522 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1522:31: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1522 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1573:25: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1573 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1573:31: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1573 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1612:27: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1612 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1612:31: 1253 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1612 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1857:53: 1857 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:1857:59: 1857 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a CMatrix.o CMatrix-mpi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in TMatrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling dscal_omp.F... Compiling ffm_multiply_omp_group.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in control grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling control.F... control.F:4738:47: 4738 | > btdb_get(rtdb,rtdb_name,mt_int,1,num_kvectors) | 1 ...... 4796 | > dbl_mb(kvs(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). control.F:1531:54: 1531 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:286:60: 59 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 286 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). control.F:640:22: 640 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1030:22: 1030 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1068:22: 1068 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1144:25: 1144 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1148:58: 1148 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1162:28: 1162 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1166:58: 1166 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1172:22: 1172 | call dcopy(9,unita,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2507:19: 2507 | call dcopy(9,unita_in,1,unita,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2516:52: 2516 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2535:19: 2535 | call dcopy(9,unita,1,unita_out,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2566:19: 2566 | call dcopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3695 | call dcopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2575:52: 2575 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 5824 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling psi_get_ne.F... psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_get_version.F... Compiling psi_get_header.F... psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_get_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_check_header.F... rho_check_header.F:57:25: 56 | call iread(4,version,1) | 2 57 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:79:52: 69 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 79 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_psp_type.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in lattice grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lattice.f... lattice.f:1160:19: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1160 | call dcopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1165 | call dcopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1335:26: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1335 | call dcopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1409:26: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1409 | call dcopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1542:24: 1029 | call dcopy(9,unitg,1,ub,1) | 2 ...... 1542 | call dcopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mask_init.F... Compiling pack.F... pack.F:2342:66: 2296 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2342 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2342:68: 2296 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2342 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 619 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:681:24: 680 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 681 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cloak.F... Compiling cram.F... cram.F:223:26: 223 | call dcopy(2*nfft3d,0.0d0,0,A,1) | 1 ...... 1384 | call dcopy(2*(int_mb(nidb2_list(1)+nb)),A,1,B,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 352 | call dcopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 ...... 1384 | call dcopy(2*(int_mb(nidb2_list(1)+nb)),A,1,B,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:981:45: 741 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 981 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1288:42: 1045 | sum = ddot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1288 | sum = ddot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1288:49: 1045 | sum = ddot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1288 | sum = ddot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling balance.F... balance.F:482:24: 415 | > A(indx), | 2 ...... 482 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). balance.F:500:24: 433 | > A(indx), | 2 ...... 500 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_balance.F... c_balance.F:456:24: 390 | > A(indx), | 2 ...... 456 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:474:24: 408 | > A(indx), | 2 ...... 474 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in io grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a compressed_io.o nwpw_message.o second.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling center.f... Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... ion.F:4791:27: 4640 | call dcopy(N,0.0d0,0,G1,1) | 2 ...... 4791 | call dcopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:114:56: 114 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4446 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). ion.F:390:57: 390 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4409 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). ion.F:3035:26: 3035 | call dcopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4640 | call dcopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling seperate_pointcharge.F... seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling ion_scaling_atoms.F... Making all in shake grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... Compiling pspw_atom.c... Compiling pspw_bond.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in pseudopotential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ Compiling carter_parse.c... carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ Compiling get_word.c... Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling schrodin.c... Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:346:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 346 | node, | ^~~~ Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling hamann.c... Compiling troullier.c... troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... Compiling gaussj.c... Compiling vanderbilt.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ Making all in paw_atom grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:342:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 342 | node, | ^~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_kinetic_energy.c... Compiling paw_potential.c... Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling auto_corr.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling simp.F... Compiling is_sORd.F... Compiling psi_filefind.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... cpsi_data.F:527:36: 286 | call dcopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 527 | call dcopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ Compiling nwpw_expression.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... nwpw_cosmo.F:67:55: 57 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 2 ...... 67 | if (.not.btdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Making all in paw_utilities grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call dcopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call dcopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4094:72: 4094 | call dcopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4294:72: 4294 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:44: 4191 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4296:72: 4296 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:47: 4191 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4298:72: 4298 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:50: 4191 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4546:72: 4546 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:33: 4462 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4548:72: 4548 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:36: 4462 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4550:72: 4550 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:39: 4462 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:5243:72: 5243 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:44: 5153 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5244:72: 5244 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:47: 5153 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5245:72: 5245 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:50: 5153 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling nwpw_xc.F... Compiling nwpw_vosko.F... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... Compiling nwpw_gauss_weights.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in unitcell grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a simulation_cell_input.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in brillouin_zone grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling brillouin_zone_input.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling brillioun.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a brillouin_zone_input.o brillioun.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in fractional grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling fractional.F... Compiling frac_occ_input.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling frac_occ.F... frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in linesearch grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling linesearch.F... Compiling Order_Values.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a linesearch.o Order_Values.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in timing grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_timing.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_timing.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in ewald grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ewald.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:948:52: 792 | > dcpl_mb(s(1))) | 2 ...... 948 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1184:39: 364 | call dcopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1184 | call dcopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1132:23: 1132 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1699:23: 1699 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2260:23: 2260 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] Compiling ewald_strfac.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ewald.o ewald_strfac.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in thermostats grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nose-hoover.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in MetaDynamics grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling metadynamics_input.F... metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(4) Compiling metadynamics.F... metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in TAMD grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tamd_input.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tamd.F... tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a tamd_input.o tamd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in FMM grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a fmm.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in md_xs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling md_xs_input.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_xs.F... md_xs.F:1116:30: 994 | call dcopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call dcopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_xs.F:271:13: 271 | if (mc_algorithm.eq.0) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here Making all in FEFF6L grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling feff6Lib.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a feff6Lib.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a md_xs_input.o md_xs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in nwpwxc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling nwpwxc_vdw3d.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3a.F:1775:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1775 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1776:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1776 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1777:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1777 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dmp,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2363:41: 1778 | if (np.gt.1) call GA_IGOP(9+MSGINT,icomp,n*n,'+') | 2 ...... 2363 | if (np.gt.1) call GA_IGOP(9+MSGINT,iabccalc,n*(n+1)/2,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/INTEGER(2)). nwpwxc_vdw3a.F:2448:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2448 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2449:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2449 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r3abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2450:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2450 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2451:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2451 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:2554:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2554 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2555:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2555 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2595:41: 1699 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2595 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:1839:24: 1839 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ Warning: 'e6' is used uninitialized [-Wuninitialized] nwpwxc_vdw3a.F:387:19: 387 | if(minc6.and.j.lt.1)then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:120:17: 120 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'j' was declared here nwpwxc_vdw3a.F:390:19: 390 | if(maxc6.and.k.lt.1)then | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:120:19: 120 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'k' was declared here Compiling nwpwxc_vdw3b.F... nwpwxc_vdw3b.F:1332:6: 1332 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxc_vdw3b.F:1137:9: 1137 | if(nl.lt.2)then | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ note: 'nl' was declared here Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ nwpwxcP_xc_b97.c:642:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ Compiling nwpwxc_x_b97.F... Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... Compiling nwpwxc_c_scan.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in libraryps grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwpw_library.F... nwpw_library.F:155:72: 155 | keyread=line(sqptr_l+1:sqptr_r-1) | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a Making all in pspw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_pspw.F... Making all in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dipole.F... Compiling orthocheck.f... Compiling psi.F... psi.F:2540:39: 2317 | > rho,dbl_mb(rho_ptr)) | 2 ...... 2540 | > dcpl_mb(psi1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:2541:39: 2317 | > rho,dbl_mb(rho_ptr)) | 2 ...... 2541 | > dcpl_mb(psi2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3260:42: 1488 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 3260 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3373:32: 3373 | call dcopy(3*n2ft3d,0.0d0,dbl_mb(rho(1)),1) | 1 ...... 5305 | call dcopy((ne(1)+ne(2)),dbl_mb(occ2(1)),1,dbl_mb(occ1(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). psi.F:3373:47: 3373 | call dcopy(3*n2ft3d,0.0d0,dbl_mb(rho(1)),1) | 1 ...... 5305 | call dcopy((ne(1)+ne(2)),dbl_mb(occ2(1)),1,dbl_mb(occ1(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). psi.F:4755:52: 1402 | > 2*npack1,dcpl_mb(etmp(1))) | 2 ...... 4755 | > 2*nfft3d,dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6397:17: 2237 | > dcpl_mb(psi_ptr+(n-1)*npack1),1, | 2 ...... 6397 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6397:35: 2238 | > Horb,1) | 2 ...... 6397 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:7212:50: 6544 | > mt_log,1,psi_nogrid)) | 2 ...... 7212 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). psi.F:7790:34: 3270 | call D3dB_rr_dot(1,dbl_mb(rho1(1)),dbl_mb(vltmp(1)),esum) | 2 ...... 7790 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:7790:51: 3270 | call D3dB_rr_dot(1,dbl_mb(rho1(1)),dbl_mb(vltmp(1)),esum) | 2 ...... 7790 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:6908:72: 6908 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:6853:42: 6853 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Grassman.F:805:21: 142 | call dcopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call dcopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call dcopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call dcopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_dmatrix.F... psi_dmatrix.F:338:20: 222 | call dcopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call dcopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call dcopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call dcopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_write.F... psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_write.F... rho_write.F:89:26: 88 | call iwrite(6,version,1) | 2 89 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:85:25: 84 | call iread(5,version,1) | 2 85 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_write.F... v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... psi_new.F:126:42: 122 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 126 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling berry_phase_pol.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling psi_H.F... psi_H.F:513:34: 338 | call dcopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 513 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_Hv4.F... psi_Hv4.F:106:34: 102 | call dcopy((ne(1)+ne(2))*n2ft3d,0.0d0,0,dbl_mb(Hpsi_r(1)),1) | 2 ...... 106 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(vall(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling electron.F... electron.F:1977:25: 1748 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 1977 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:1977:41: 1749 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1977 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:247:44: 247 | call dcopy(2*(npack1)*(neq(1)+neq(2)),psi1,1,psi2,1) | 1 ...... 1804 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:247:51: 247 | call dcopy(2*(npack1)*(neq(1)+neq(2)),psi1,1,psi2,1) | 1 ...... 1804 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:427:22: 427 | > dbl_mb(xce(1)), | 1 ...... 683 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2077:29: 2052 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2077 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2251:26: 1804 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 2251 | call dcopy(4*nfft3d,vall_in,1,dbl_mb(vall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) electron.F:2343:51: 1888 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2343 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a psi_H.o psi_Hv4.o electron.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ke.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ke.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling coulomb.F... Compiling coulomb2.F... coulomb2.F:355:34: 65 | call dcopy(nfft3d,0.0d0,0,dbl_mb(gk(1)),1) | 2 ...... 355 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(tmpx(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb2.F:366:27: 280 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 366 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling coulomb_screened.F... coulomb_screened.F:73:32: 72 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 73 | call dcopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:660:72: 660 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:910:24: 72 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 910 | call dcopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:939:32: 139 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 939 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_screened_small.F... coulomb_screened_small.F:73:32: 72 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 73 | call dcopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_filter.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in exchange-correlation grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... Compiling v_mexc.F... Compiling v_bwexc.F... v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling v_bwexc_euv.F... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:392:72: 392 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling nwpw_meta_gga.F... nwpw_meta_gga.F:158:34: 42 | call dcopy(2*n2ft3d,0.0d0,0,dbl_mb(dfdtau(1)),1) | 2 ...... 158 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(dpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:283:36: 184 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 283 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... Compiling b3lyp.F... Compiling bnl2007_x.F... Compiling hsepbe.F... Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling pw91c.f... Compiling pbe96c.f... Making all in vdw-DF grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vdw-DF.F... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) Compiling vdw_DF_kernel.F... Compiling vdw_DF_get_qmesh_filename.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o pw91c.o pbe96c.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in sic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_sic.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_hfx.F... pspw_hfx.F:95:37: 45 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 95 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call dcopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_hfx.o pspw_hfx_localized.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in ion grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ion_ion.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ion_ion.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in psp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling MOTION.F... Compiling psp.F... psp.F:3998:22: 3996 | call iread(5,psp_type,1) | 2 3997 | call iread(5,version,1) 3998 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4001:22: 3999 | call dread(5,unita,9) | 2 4000 | call cread(5,atom,2) 4001 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4002:22: 3999 | call dread(5,unita,9) | 2 ...... 4002 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4012:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4012 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4013:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4013 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4014:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4014 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4015:22: 3996 | call iread(5,psp_type,1) | 2 ...... 4015 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4024:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4024 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4031:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4031 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4036:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4036 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4038:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4038 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4057:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4057 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4058:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4058 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4059:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4059 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4060:56: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4060 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4082:40: 3999 | call dread(5,unita,9) | 2 ...... 4082 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4083:22: 3999 | call dread(5,unita,9) | 2 ...... 4083 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4086:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4086 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4088:55: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4088 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4132:45: 3999 | call dread(5,unita,9) | 2 ...... 4132 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4133:45: 3999 | call dread(5,unita,9) | 2 ...... 4133 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4136:37: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4136 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4138:37: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4138 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4143:24: 3999 | call dread(5,unita,9) | 2 ...... 4143 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4144:24: 3999 | call dread(5,unita,9) | 2 ...... 4144 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4145:24: 3999 | call dread(5,unita,9) | 2 ...... 4145 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4146:24: 3999 | call dread(5,unita,9) | 2 ...... 4146 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4147:24: 3999 | call dread(5,unita,9) | 2 ...... 4147 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4152:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4152 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4153:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4153 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4154:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4154 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4155:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4155 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4156:57: 4026 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4156 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4174:45: 3996 | call iread(5,psp_type,1) | 2 ...... 4174 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4175:60: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4175 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4177:45: 3996 | call iread(5,psp_type,1) | 2 ...... 4177 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4178:60: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4178 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4180:45: 3996 | call iread(5,psp_type,1) | 2 ...... 4180 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4181:60: 4021 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4181 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1965:55: 1965 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3294 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2041:42: 1884 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2041 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2616:36: 218 | call dcopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2616 | call dcopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4471:72: 4471 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp.F:2028:72: 2028 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1918:41: 1918 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:2030:72: 2030 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1918:41: 1918 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2032:72: 2032 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1918:41: 1918 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:3203:72: 3203 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2898:18: 2898 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here psp.F:3205:72: 3205 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2898:18: 2898 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3207:72: 3207 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2898:18: 2898 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here Compiling psp_olddebug.F... psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call dcopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call dcopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here paw.F:3461:72: 3461 | rholm_ae(ig,ms,lm) = taunt*rholm_ae(ig,ms,1) | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] paw.F:3420:23: 3420 | real*8 wij,taunt | ^ note: 'taunt' was declared here Compiling psp_stress.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling semicore.F... semicore.F:549:32: 525 | call dcopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call dcopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling semicore_force.F... Compiling psp_U.F... psp_U.F:823:72: 823 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:815:38: 815 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:823:72: 823 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:815:38: 815 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here Compiling psp_ld.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs2.F... pspw_lmbfgs2.F:83:32: 59 | call dscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call dscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs3.F... pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_diis.F... pspw_diis.F:78:26: 25 | call dcopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call dcopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call dcopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call dcopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pspw_rmmdiis.F... pspw_rmmdiis.F:144:41: 66 | call daxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call daxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in aorbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a aorbs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in truncating_function grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling truncating_function.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a truncating_function.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling psp_formatter_input.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling psp_formatter.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psp_stress_formatter.F... psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pawppv1.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hghppv1.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3-stress.F... kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling wvfnc_init.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_new.F... wvfnc_new.F:167:20: 166 | call iwrite(6,version,1) | 2 167 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:170:20: 166 | call iwrite(6,version,1) | 2 ...... 170 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:197:26: 168 | call dwrite(6,unita,9) | 2 ...... 197 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_reformat.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_ionize.F... wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_adjust.F... wvfnc_adjust.F:158:19: 157 | call iread(5,version,1) | 2 158 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:161:19: 157 | call iread(5,version,1) | 2 ...... 161 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:167:20: 166 | call iwrite(6,version,1) | 2 167 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:170:20: 166 | call iwrite(6,version,1) | 2 ...... 170 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:215:22: 157 | call iread(5,version,1) | 2 ...... 215 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:218:22: 157 | call iread(5,version,1) | 2 ...... 218 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:235:28: 159 | call dread(5,unita,9) | 2 ...... 235 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:295:26: 168 | call dwrite(6,unita,9) | 2 ...... 295 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:309:25: 157 | call iread(5,version,1) | 2 ...... 309 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:312:25: 157 | call iread(5,version,1) | 2 ...... 312 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:331:28: 157 | call iread(5,version,1) | 2 ...... 331 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:334:28: 157 | call iread(5,version,1) | 2 ...... 334 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:396:19: 157 | call iread(5,version,1) | 2 ...... 396 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:399:19: 157 | call iread(5,version,1) | 2 ...... 399 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wvfnc_convert_restricted.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling v_wvfnc_init.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_wvfnc_new.F... v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... silvestrelli_overlap.F:59:72: 59 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_translate.F... Compiling expand_cell.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling wvfnc_expand_cell.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling band_reformat_c_wvfnc.F... band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsd_input.F... cpsd_input.F:130:54: 110 | > geometry_optimize) | 2 ...... 130 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cpmd_input.F... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling cpsdv5.F... cpsdv5.F:825:19: 207 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 825 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:826:19: 207 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 826 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpmdv5.F... cpmdv5.F:342:50: 218 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 342 | call dcopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:396:42: 218 | call dcopy(50,0.0d0,0,E,1) | 2 ...... 396 | call dcopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling mmsdv1.F... Compiling inner_loop_md.F... inner_loop_md.F:364:27: 344 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 364 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:421:30: 360 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 421 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... psi_lmbda2.f:51:22: 51 | call dcopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 185 | call dcopy(nn,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_lmbda3.f... psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... pspw_et.F:1594:41: 1500 | call dcopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call dcopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling runsocket.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling inner_loop.F... inner_loop.F:437:27: 411 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 437 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:491:30: 433 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 491 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cgsd_input.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling pspw_noit_energy.F... Compiling pspw_energy.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:674:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 674 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:677:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 677 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:688:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 688 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:691:25: 671 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 691 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:615:13: 615 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here Compiling cgmontecarlov1.F... cgmontecarlov1.F:769:27: 197 | call dcopy(30,0.0d0,0,E,1) | 2 ...... 769 | call dcopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:761:72: 761 | > dbl_mb(frac1(1))) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here Compiling cgoptimize1.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here Compiling cgmdv5.F... cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mmmdv1.F... mmmdv1.F:712:25: 709 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:722:25: 709 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 722 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:725:25: 709 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 725 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... cgsd_energy.F:240:36: 238 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 239 | call ecce_print1('iterative total energy difference', 240 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cgsd_energy.F:1032:19: 87 | call dcopy(40,0.0d0,0,E,1) | 2 ...... 1032 | call dcopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1370:19: 87 | call dcopy(40,0.0d0,0,E,1) | 2 ...... 1370 | call dcopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bybminimize.F... bybminimize.F:220:72: 220 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:122:72: 122 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here kp_structure.F:121:72: 121 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling analysis_input.F... Compiling analysis.F... analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... Making all in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_APC.F... pspw_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling pspw_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_Efield_grad.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cell_optimize_input.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling cell_optimize.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling update_unitcell.F... update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here Compiling stress_fd.F... stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). stress_fd.F:192:19: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call dcopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call dcopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call dcopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call dcopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call dcopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call dcopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_qmmm_input.F... pspw_qmmm_input.F:169:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 169 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pspw_qmmm_input.F:500:57: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 500 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:533:49: 167 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 533 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_qmmm_input.F:559:57: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 559 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:727:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 727 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:733:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 733 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1386:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1386 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1392:47: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1392 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2015:51: 138 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2015 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pspw_qmmm.F... pspw_qmmm.F:105:46: 69 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 105 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling pspw_2qmmm.F... pspw_2qmmm.F:77:46: 59 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 77 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling pspw_springs.F... Making all in pspw_LJ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_LJ.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in pspw_Q grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_Q.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_Q.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in pspw_Pair grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_Pair.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in mmq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mmq.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a mmq.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_charge.F... pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_charge.F:676:44: 674 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 675 | call Parallel_shared_vector_zero(.false.,2*npack0, 676 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:685:43: 683 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 684 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 685 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:691:53: 690 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 691 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_charge.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling pspw_dplot_input.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pspw_dplot.F... pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) Compiling pspw_dplot_iteration.F... Compiling ELF.F... ELF.F:99:35: 99 | call dcopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 181 | call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:440:72: 440 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:379:27: 379 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here Compiling Ursenbach_smoother.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in lcao grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lcao_wvfnc.F... Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling lcaov1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a task_pspw.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a Making all in paw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_paw.F... Making all in paw_geometry grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in paw_ma grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_ma.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_utils grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_basis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_proj grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_proj.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_matrix grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_comp_charge_matrix.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_comp_charge_matrix.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_ovlp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_ovlp.o paw_overlap_matrix.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_comp_charge grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_comp_charge.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_comp_charge.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_special_functions grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_gaunt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_gaunt.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_gaunt.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_kinetic grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_vloc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_ion_potential grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_core grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy_core_atom.o paw_matrix_core.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_hartree grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_comp_pot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_mult grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_mult.F... paw_mult.F:1118:40: 1118 | call dcopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_nonlocal grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call dcopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_nonlocal.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_density grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_density.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_xc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_xc.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call dcopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call dcopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_force grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call dcopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call dcopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_force.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call dscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call dscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_Grsm_list.o paw_lmbfgs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in paw_psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_psi.F... paw_psi.F:167:22: 167 | call dcopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call dcopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call dcopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call dcopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_psi2.F... paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call dcopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call dcopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call dcopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call dcopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call dcopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call dcopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call dcopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling paw_geodesic.F... paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_sd.F... paw_sd.F:903:40: 331 | call dcopy(20,0.0d0,0,E,1) | 2 ...... 903 | call dcopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_cpmd.F... paw_cpmd.F:538:40: 306 | call dcopy(30,0.0d0,0,E,1) | 2 ...... 538 | call dcopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call dcopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:200:46: 200 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling paw_inner_loop.F... paw_inner_loop.F:327:32: 293 | call dcopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call dcopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:331:32: 288 | call dcopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call dcopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call dcopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_marat_write.F... Compiling paw_output.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in cgsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). paw_stress_fd.F:134:19: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call dcopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call dcopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call dcopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call dcopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call dcopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call dcopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call dcopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_cell_optimize.F... paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a task_paw.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a Making all in band grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_input.F... band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_band.F... Compiling band_energy.F... Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... Making all in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_minimizer.F... band_minimizer.F:591:25: 588 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 591 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:601:25: 588 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 601 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:604:25: 588 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 604 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:595:72: 595 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... c_cgsd_energy_stress.F:64:19: 38 | call dcopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call dcopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_bfgsminimize.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... c_bybminimize2.F:268:20: 234 | > dbl_mb(rho_in(1)),1, | 2 ...... 268 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:269:20: 235 | > dbl_mb(rho_junk(1)),1) | 2 ...... 269 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in structure grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_structure.F... band_structure.F:652:38: 526 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 652 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). band_structure.F:704:72: 704 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[1]' was declared here band_structure.F:704:72: 704 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here band_structure.F:704:72: 704 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[2]' was declared here Compiling band_interpolate_structure.F... band_interpolate_structure.F:231:72: 231 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_interpolate_structure.F:230:72: 230 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_interpolate_structure.F:229:72: 229 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling band_kp_structure.F... band_kp_structure.F:192:72: 192 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_kp_structure.F:191:72: 191 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_sd.F... band_sd.F:825:72: 825 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:835:72: 835 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here Compiling band_cpmd.F... band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:1060:72: 1060 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here Compiling band_inner_loop.F... band_inner_loop.F:282:35: 140 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 282 | call dcopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop.F:359:72: 359 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:359:72: 359 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:359:72: 359 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) Compiling band_inner_loop_md.F... band_inner_loop_md.F:311:35: 154 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call dcopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in cell_optimize grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling band_update_unitcell.F... band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in kbpp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbpp_band_orb.F... kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling rkbpp_band.F... rkbpp_band.F:581:32: 581 | call dcopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call dcopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). rkbpp_band.F:854:72: 854 | return | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling kbpp_e_band.F... kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in makepsi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_wvfnc_new.F... c_wvfnc_new.F:186:20: 185 | call iwrite(6,version,1) | 2 186 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:195:20: 185 | call iwrite(6,version,1) | 2 ...... 195 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:217:24: 187 | call dwrite(6,unita,9) | 2 ...... 217 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:302:30: 187 | call dwrite(6,unita,9) | 2 ...... 302 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:304:30: 187 | call dwrite(6,unita,9) | 2 ...... 304 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_expander.F... c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:162:19: 161 | call iread(5,version,1) | 2 162 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:165:19: 161 | call iread(5,version,1) | 2 ...... 165 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:220:22: 161 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:223:22: 161 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:240:28: 163 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:299:26: 173 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:313:25: 161 | call iread(5,version,1) | 2 ...... 313 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:316:25: 161 | call iread(5,version,1) | 2 ...... 316 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:336:28: 161 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:339:28: 161 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:405:19: 161 | call iread(5,version,1) | 2 ...... 405 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:408:19: 161 | call iread(5,version,1) | 2 ...... 408 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_v_wvfnc_new.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_reformat_c_wvfnc.F... pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in cpsp grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsp.F... cpsp.F:1576:22: 1574 | call iread(5,psp_type,1) | 2 1575 | call iread(5,version,1) 1576 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1579:22: 1577 | call dread(5,unita,9) | 2 1578 | call cread(5,atom,2) 1579 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1580:22: 1577 | call dread(5,unita,9) | 2 ...... 1580 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1589:24: 1574 | call iread(5,psp_type,1) | 2 ...... 1589 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1590:24: 1574 | call iread(5,psp_type,1) | 2 ...... 1590 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1591:24: 1574 | call iread(5,psp_type,1) | 2 ...... 1591 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1604:22: 1577 | call dread(5,unita,9) | 2 ...... 1604 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1644:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1644 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1656:48: 1646 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 1656 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1658:48: 1646 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 1658 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1670:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1670 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1671:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1671 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1672:49: 1633 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 1672 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1683:48: 1646 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 1683 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call dcopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1012 | call dcopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call daxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1024 | call daxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call daxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1024 | call daxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1188:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1188 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:938:72: 938 | occ_shift = occ_shift+1 | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:643:31: 643 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ_shift' was declared here cpsp.F:1436:72: 1436 | occ_shift = occ_shift+1 | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1231:43: 1231 | integer occ1_tag,occ1_shift,occ_shift | ^ note: 'occ_shift' was declared here Compiling cpsp_relativistic.F... cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:901:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 901 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1127:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1127 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling c_semicore.F... c_semicore.F:459:32: 436 | call dcopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call dcopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_semicore_force.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cke.F... cke.F:195:23: 160 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 195 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:196:23: 160 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 196 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cke.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in coulomb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_coulomb.F... Compiling c_coulomb_screened.F... c_coulomb_screened.F:190:32: 165 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call dcopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call dcopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call dcopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a c_coulomb.o c_coulomb_screened.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c_electron.F... c_electron.F:1289:25: 1163 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1289 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1289:42: 1163 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1289 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1298:35: 1272 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1298 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:268:28: 268 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1165 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:269:31: 269 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1167 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:276:20: 276 | > orb, | 1 ...... 1018 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:277:20: 277 | > dcpl_mb(tmp_r(1)), | 1 ...... 1019 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:278:20: 278 | > Horb) | 1 ...... 1020 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:279:36: 279 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1025 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:325:72: 325 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:325:72: 325 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:325:72: 325 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1463:26: 1227 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 1463 | call dcopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1463:45: 1227 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 1463 | call dcopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_H.F... cpsi_H.F:167:31: 167 | > dbl_mb(Hpsi_shift)) | 1 ...... 448 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:277:29: 107 | call dcopy(2*npack0,vc,1,dcpl_mb(vall(1)),1) | 2 ...... 277 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:277:37: 107 | call dcopy(2*npack0,vc,1,dcpl_mb(vall(1)),1) | 2 ...... 277 | call dcopy(2*nfft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:320:29: 142 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 320 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:547:31: 431 | > orb_r, | 2 ...... 547 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:148:72: 148 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a c_electron.o cpsi_H.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in psi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cpsi.F... cpsi.F:2947:33: 148 | > dbl_mb(rho1(1)),1) | 2 ...... 2947 | call dcopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:3124:45: 3032 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 3124 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:3202:50: 2082 | > mt_log,1,psi_nogrid)) | 2 ...... 3202 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling c_geodesic.F... c_geodesic.F:530:25: 221 | > dbl_mb(ynewshift)) | 2 ...... 530 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:620:25: 407 | > dbl_mb(tGshift),npack1, | 2 ...... 620 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_lmbda.F... Compiling cpsi_KS.F... cpsi_KS.F:2973:33: 2971 | > dcpl_mb(r1(1))) | 2 2972 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 2973 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:2974:33: 2970 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 2974 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:2735:29: 2715 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 2 ...... 2735 | call Cram_cc_dot(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:2742:31: 2731 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 2742 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:2888:25: 2731 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 2888 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1464:72: 1464 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1469:20: 1469 | > dbl_mb(psi_ptr), | 1 ...... 2716 | > dcpl_mb(g(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1484:36: 1484 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2755 | call Cram_c_SMul1(nb,de0,dcpl_mb(t(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:938:24: 938 | > tau_t) | 1 ...... 2885 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:1358:72: 1358 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:362:72: 362 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:451:72: 451 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2412:72: 2412 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) Compiling BGrsm.F... BGrsm.F:82:23: 44 | call dcopy(nsize,A,1,C,1) | 2 ...... 82 | call dcopy(nsize,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:112:34: 44 | call dcopy(nsize,A,1,C,1) | 2 ...... 112 | call dcopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_read.F:88:22: 87 | call iread(5,version,1) | 2 88 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:91:22: 87 | call iread(5,version,1) | 2 ...... 91 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:101:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 100 | msglen = 3 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:107:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:249:48: 190 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 249 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:368:22: 87 | call iread(5,version,1) | 2 ...... 368 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:371:22: 87 | call iread(5,version,1) | 2 ...... 371 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:380:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 380 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:386:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 386 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:599:22: 87 | call iread(5,version,1) | 2 ...... 599 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:602:22: 87 | call iread(5,version,1) | 2 ...... 602 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:612:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 612 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:618:49: 99 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 618 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_write.F... cpsi_write.F:93:23: 92 | call iwrite(6,version,1) | 2 93 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:102:23: 92 | call iwrite(6,version,1) | 2 ...... 102 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:262:23: 92 | call iwrite(6,version,1) | 2 ...... 262 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:271:23: 92 | call iwrite(6,version,1) | 2 ...... 271 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:386:23: 92 | call iwrite(6,version,1) | 2 ...... 386 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:395:23: 92 | call iwrite(6,version,1) | 2 ...... 395 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:399:24: 92 | call iwrite(6,version,1) | 2 ...... 399 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:402:24: 92 | call iwrite(6,version,1) | 2 ...... 402 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:526:23: 92 | call iwrite(6,version,1) | 2 ...... 526 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:535:23: 92 | call iwrite(6,version,1) | 2 ...... 535 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_read.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_write.F... crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling v_cpsi_write.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in hfx grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call dcopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call dcopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_hfx.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in Grsm_list grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call dscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call dscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call daxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call daxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_Grsm_list.o band_lmbfgs.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in borbs grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling borbs.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling borb_projector.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a borbs.o borb_projector.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in dplot grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_dplot_input.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling band_dplot.F... band_dplot.F:660:49: 625 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 660 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1017:30: 432 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1017 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). band_dplot.F:894:30: 894 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1764 | call dcopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:894:38: 894 | call dcopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1764 | call dcopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:927:36: 927 | call dscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1765 | call dscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling band_dplot_iteration.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in analysis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_analysis.F... band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). band_analysis.F:312:44: 310 | call dcopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call dcopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call dcopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling orb_pop_borb.F... Making all in APC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling band_APC.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling band_Efield.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_APC.o band_Efield.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_analysis.o orb_pop_borb.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a Making all in ofpw grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ofpw_energy.F... Compiling task_ofpw.F... Making all in minimizer grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ofpw_minimizer.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in cpsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... inner_loop_ofpw.F:160:32: 141 | call dcopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call dcopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call dcopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call dcopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling chi_lmbda.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in lib grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in chi grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling chi_read.F... chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_write.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_new.F... Compiling chi_expander.F... chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in electron grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling chi_H.F... Compiling chi_Hv4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a chi_H.o chi_Hv4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in ke grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling v_thomasfermi.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a v_thomasfermi.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a Making all in WGC grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a wgc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ofpw_energy.o task_ofpw.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a Making libraries in fft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in pfft1.0 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in fftpack grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dcfftb.F... Compiling dcfftf.F... Compiling dcffti.F... Compiling dcftb1.F... Compiling dcftf1.F... Compiling dcfti1.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb.F... Compiling dpssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb3.F... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling drfftb.F... Compiling drfftf.F... Compiling drffti.F... Compiling drftb1.F... Compiling drftf1.F... Compiling drfti1.F... Compiling dradb2.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb4.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb5.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradbg.F... Compiling dradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf5.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradfg.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a Making all in pfft grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in pfftwrap grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwfft3d.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a nwfft3d.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in python grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling python_input.F... Compiling task_python.c... task_python.c: In function 'task_python_': task_python.c:46:4: warning: 'Py_SetProgramName' is deprecated [-Wdeprecated-declarations] 46 | Py_SetProgramName(nwprogram); | ^~~~~~~~~~~~~~~~~ In file included from /usr/include/python3.11/Python.h:94, from task_python.c:4: /usr/include/python3.11/pylifecycle.h:37:38: note: declared here 37 | Py_DEPRECATED(3.11) PyAPI_FUNC(void) Py_SetProgramName(const wchar_t *); | ^~~~~~~~~~~~~~~~~ Compiling nwchem_wrap.c... nwchem_wrap.c:1800:18: warning: 'error_out' defined but not used [-Wunused-function] 1800 | static PyObject* error_out(PyObject *m) { | ^~~~~~~~~ Compiling nw_inp_from_string.c... nw_inp_from_string.c: In function 'nw_inp_from_string': nw_inp_from_string.c:37:10: warning: unused variable 'fstring' [-Wunused-variable] 37 | char fstring[255]; | ^~~~~~~ grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a Making libraries in analyz grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling ana_report.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_task.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_torsion.F... Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a Making libraries in nwmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling nwmd.F... Compiling md_start.F... md_start.F:1989:7: 1720 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1989 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(4)). md_start.F:1989:72: 1989 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_start.F:1336:29: 1334 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1335 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1336 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here Compiling md_input.F... md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_main.F... md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a Making libraries in cafe grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cf_d.F... Compiling cf_fp.F... cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=4)[0:D.9038] *)_2236][_31]' may be used uninitialized [-Wmaybe-uninitialized] Compiling cf_f.F... cf_f.fh:4662:9: 4662 | if(isrx.eq.999) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here Compiling cf_list.F... Compiling cf_main.F... cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a Making libraries in space grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling sp_init.F... sp_init.F:4049:54: 4036 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4049 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_init.F:4071:28: 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4071 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_init.F:4098:56: 4086 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4098 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_init.F:1188:28: 1188 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3021:28: 3021 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2080:26: 2080 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1703:38: 1703 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1860:38: 1860 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2932 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4070 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2229:35: 2210 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2229 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_init.F:2229:43: 2210 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2229 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling sp_main.F... sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a sp_init.o sp_main.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a Making libraries in drdy grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). nwc_gen.F:89:24: 83 | call dcopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call dcopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a Making libraries in vscf grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling vscf_input.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling vscf.F... vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a vscf_input.o vscf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a Making libraries in qmmm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qmmm.F... Compiling task_qmmm_gradient.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling mm_interface.F... mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling qmmm_link.F... Compiling qmmm_data.F... qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling qmmm_lbfgsb.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling qmmm_main.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling qmmm_check_forces.F... qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qmmm_bq.F... qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling qmmm_esp.F... qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). Compiling qmmm_cons.F... qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling qmmm_geom.F... qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) Compiling qmmm_bq_data.F... qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(4)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmmm_optimize.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling task_qmmm_dynamics.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). Compiling qmmm_output.F... qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling mm_utils.F... Compiling qmmm_input.F... qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(4)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling qmmm_pes.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qmmm_property.F... Compiling task_qmmm_fep.F... task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_qmmm_abc.F... task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a Making libraries in qmd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qmd_init.F... qmd_init.F:80:52: 74 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 2 ...... 80 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_init.F:109:72: 109 | m_nh(ichain) = nh_mass(ichain) ! mass of chains | ^ Warning: 'nh_mass' may be used uninitialized [-Wmaybe-uninitialized] qmd_init.F:41:33: 41 | double precision nh_mass(2) ! nose-hoover mass | ^ note: 'nh_mass' declared here Compiling qmd_driver.F... qmd_driver.F:133:55: 130 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 133 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_main.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_input.F... qmd_input.F:66:55: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 66 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). qmd_input.F:87:52: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 87 | if (.not.rtdb_put(rtdb,'qmd:nh_mass',mt_dbl,2,nh_mass)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) qmd_input.F:203:56: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 203 | if (.not.rtdb_put(rtdb,'qmd:nh_mass',mt_dbl,2,nh_mass)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) qmd_input.F:249:57: 61 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 249 | if (.not.rtdb_put(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling qmd_start.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... qmd_gradient.F:37:51: 35 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 36 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 37 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_kinetic.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_write_trj.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_write_rst.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_read_rst.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_freeze_inactive.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_move_civecs.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_elec_prop.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_tdks_enmo.F... qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_tddft_enmo.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_namd_init.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_namd_input.F... qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling qmd_set_den.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_coords_vels.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_civecs_read.F... qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmd_common.fh:33:29: 33 | common/qmd_thermostats/do_berendsen,tau, | 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmd_property.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a Making libraries in etrans grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling et_calc.F... et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling et_det.F... Compiling et_2e.F... Compiling et_dgefa.F... Compiling et_movecs_read.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a Making libraries in tce grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_input.F... tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1799 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling tce_init.F... tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:797:72: 797 | 1 scftype,nbf_verify,ipol_verify,nmo,2)) call errquit | 1 Warning: Missing actual argument for argument '_formal_5' at (1) tce_init.F:889:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 889 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_energy.F... tce_energy.F:604:15: 593 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 604 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). tce_energy.F:611:17: 595 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 611 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). Compiling tce_energy_fragment.F... tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tce_energy_fragment.F:346:31: 346 | if (.not.semi_dir_mp2(rtdb,.false.)) call errquit | 1 Warning: More actual than formal arguments in procedure call at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_tile.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... deletefile.F:131:12: 131 | if (j.lt.nfiles) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] deletefile.F:22:17: 22 | integer i,j | ^ note: 'j' was declared here Compiling reconcilefile.F... Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] get_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling put_block.F... put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... add_block.F:76:72: 76 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] add_block.F:29:17: 29 | integer i,j | ^ note: 'j' was declared here Compiling tce_tidy.F... Compiling sf_test.F... Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_print_x1.F... Compiling tce_print_x2.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... Compiling tce_residual_t4.F... Compiling ma_pack.F... Compiling sf_print.F... Compiling ma_print_compact.F... Compiling ma_scale.F... Compiling copyfile.F... Compiling ddotfile.F... Compiling daxfile.F... Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... sym_abelian_axis.F:21:0: 21 | #include "global.fh" ! ga_nodeid() | Warning: extra tokens at end of #include directive sym_abelian_axis.F:22:0: 22 | #include "util.fh" ! util_print(..) | Warning: extra tokens at end of #include directive sym_abelian_axis.F:23:0: 23 | #include "stdio.fh" ! LuOut=6 | Warning: extra tokens at end of #include directive Compiling tce_mod1_new.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mod1_offset_new.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... tce_eom_xdiagon.F:799:72: 799 | call tce_jacobi_x1(x1(imicro),k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:800:72: 800 | call tce_jacobi_x2(x2(imicro),k_x2_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:1380:72: 1380 | call tce_jacobi_x1(x1(imicro),k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:1973:72: 1973 | & k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:1975:72: 1975 | & k_x2_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) tce_eom_xdiagon.F:2483:72: 2483 | & k_x1_offset,omega) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tce_ao2e_cholesky.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling get_block_ind_sf.F... get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:25: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:142:72: 142 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:29: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:139:72: 139 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:17: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:140:72: 140 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:21: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:138:72: 138 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:21:23: 21 | INTEGER size_last | ^ note: 'size_last' was declared here tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:25: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:598:72: 598 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:29: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:595:72: 595 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:17: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:596:72: 596 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:21: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:594:72: 594 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:471:23: 471 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling tce_mo2e_offset_size.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... tce_mo2e_zones_4a_disk_ga.F:574:72: 574 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga.F:78:34: 78 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop.F... tce_mo2e_zones_4a_disk_ga_chop.F:580:72: 580 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop.F:84:34: 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_2s_new.F... Compiling tce_restart.F... Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_reference_check.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... Compiling tce_multipole_destroy.F... Compiling tce_create_t1.F... Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... Compiling tce_create_x1.F... Compiling tce_create_x2.F... Compiling tce_create_x3.F... Compiling tce_create_x4.F... Compiling tce_create_y1.F... Compiling tce_create_y2.F... Compiling tce_create_y3.F... Compiling tce_create_y4.F... Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... Compiling tce_clone_x4.F... Compiling tce_clone_y1.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling tce_t1_offset_new.F... Compiling tce_t2_offset_new.F... Compiling tce_t3_offset_new.F... Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... Compiling tce_x2_offset_new.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling tce_y1_offset_new.F... Compiling tce_y2_offset_new.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling tce_ccsd_driver.F... Compiling tce_ccsdt_driver.F... Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_init_new.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... tce_mo2e_zones_4a_disk_4s_new_patch.F:256:10: 256 | if(i.eq.ip_max1) go to 771 | ^ Warning: 'ip_max1' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch.F:101:41: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'ip_max1' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_mo2e_incore_2eorb.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet3_n5.F... tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3_n5.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4.F... tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4_n5.F... tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4_n5.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling get_hash_block_ma.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... Compiling ccsd_lambda.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling tce_schmidt.F... Compiling tensor_read_write.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling tce_diis_act.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... tce_mo2e_zones_4a_disk_ga_act.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_act.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_act.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... new_ga4ind_N5.F:2048:39: 2048 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_N5.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... tce_mo2e_zones_4a_disk_ga_chop_N5.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_eom_xguess.F... Compiling tce_eom_yguess.F... Compiling ma_transpose.F... Making all in include grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in diis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_diis.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... Compiling tce_jacobi_t1.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... Compiling tce_jacobi_l1.F... Compiling tce_jacobi_l2.F... Compiling tce_jacobi_l3.F... Compiling tce_jacobi_l4.F... Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_jacobi_t3a.F... Compiling tce_jacobi_x3a.F... Compiling t2_2_y2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in diis2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in gradients grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_gradient.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling ccsd_1pdm_ph_mo.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... Compiling zvec_x_b_b_a.F... Compiling zvec_x_b_b_b.F... Compiling zvec_x_b_c.F... Compiling zvec_x_b_d_a.F... Compiling zvec_x_b_d_b.F... Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling zvec_x_c_a.F... Compiling zvec_x_c_b.F... Compiling ccsd_zvec.F... Compiling wdm_hh_mo_a.F... Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_a_b.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... Compiling wdm_hh_mo_c_b_b.F... Compiling wdm_hh_mo_c_c_a.F... Compiling wdm_hh_mo_c_c_b.F... Compiling wdm_hh_mo_c_d.F... Compiling wdm_hh_mo_c_e_a.F... Compiling wdm_hh_mo_c_e_b.F... Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... Compiling wdm_hh_mo_d.F... Compiling wdm_hp_mo_a.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling wdm_hp_mo_b_b_a.F... Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling wdm_hp_mo_b_d_b.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling wdm_pp_mo_b_d_a.F... Compiling wdm_pp_mo_b_d_b.F... Compiling wdm_pp_mo_b_e_a.F... Compiling wdm_pp_mo_b_e_b.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_dens_hphp_offset.F... Compiling tce_dens_hppp_offset.F... Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... Compiling tce_zvec_x1_offset.F... Compiling tce_2pdm_offset.F... Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). tce_grad_force.F:1002:72: 1002 | 1 ma_err) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eomccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... offl_ccsd_t_doubles_l.F:666:72: 666 | D deltat_mic) | 1 Warning: Type mismatch in argument 'deltat' at (1); passed REAL(8) to INTEGER(4) offl_ccsd_t_doubles_l.F:666:72: 666 | D deltat_mic) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cr-eomccsd_t grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... cr_eomccsd_t.F:258:72: 258 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:272:72: 272 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in lrh grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_loc_j1.o tce_loc_j2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in emb grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here Compiling emb2.F... emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccd_e.F... Compiling ccd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccd_e.o ccd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in lccd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lccd_e.F... Compiling lccd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a lccd_e.o lccd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in lccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in qcisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cc3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt1 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt1_t1.o mbpt1_t2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt2 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt3 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in mbpt4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mbpt4_e.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a mbpt4_e.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cis grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cisd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cisd_e.o cisd_c1.o cisd_c2.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cisdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cisdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eomccsd_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in cr_eomccsd_t_act grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in sort grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ducc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling map_hcore.F... map_hcore.F:367:34: 367 | & (iph4.lt.iph5).and.(iph5.lt.iph6)) then | ^ Warning: 'ipp3' may be used uninitialized [-Wmaybe-uninitialized] map_hcore.F:310:34: 310 | integer iph6,iph5,iph4,ipp3,ipp2,ipp1 | ^ note: 'ipp3' was declared here Compiling rot_vir.F... Compiling ducc.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a map_hcore.o rot_vir.o ducc.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ucc4 grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eaccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ipccsd grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ccsdt_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ccsdt_alpha_new grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ccsdt_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ccsdt_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdt_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in eomccsdt grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_alpha grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_beta grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsd_yr grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making all in ccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ccsdtq_lambda grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in eomccsdtq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in ccsdtq_alpha_offdiag grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making all in response grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[3]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a Making libraries in bq grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in mm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling mm_input.F... Compiling mm_data.F... mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'nbtot' at (1); passed REAL(8) to INTEGER(4) mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'br' at (1); passed LOGICAL(4) to REAL(8) mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'lqm' at (1); passed INTEGER(4) to LOGICAL(4) mm_bond.F:1802:40: 1802 | & int_mb(i_indx),ndih,int_mb(i_idih), | 1 Warning: Rank mismatch in argument 'indx' at (1) (rank-1 and scalar) mm_bond.F:1805:72: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Type mismatch in argument 'ldih' at (1); passed REAL(8) to INTEGER(4) mm_bond.F:1805:40: 1805 | & dbl_mb(i_phas),edih) | 1 Warning: Rank mismatch in argument 'phas' at (1) (rank-1 and scalar) Compiling mm_bond_coords.F... Compiling mm_link.F... mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] mm_bq_data.fh:6:25: 6 | common /mm_bq_data/ nbq, | 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling mm_neb.F... mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling mm_cons.F... mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a Making libraries in cons grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in perfm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making libraries in dntmc grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dntmc_input.F... dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dntmc_setgeom.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). gibbs.F:4594:72: 4594 | NUMBER(I,J) = NUMBER(I,J) + 1 | ^ Warning: 'spctagpoint' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:4549:36: 4549 | integer spctagsum, spctagpoint | ^ note: 'spctagpoint' was declared here gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.6988] *)_570][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7671] *)_546][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.8417] *)_493][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a Making libraries in dangchang grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dc_initialize.F... Compiling dc_setgeom.F... grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a Making libraries in ccca grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling task_ccca.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(4)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling ccca_utils.F... ccca_utils.F:1470:51: 1463 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1470 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). ccca_utils.F:1007:60: 1005 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1006 | if (restart) 1007 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a task_ccca.o ccca_utils.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a Making libraries in dimqm grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Compiling dimqm_input.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dimpar_input.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dimqm_prep.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_main.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling matvecComplex.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(4)). Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/CHARACTER(*)). Compiling dimqm_addop.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dimqm_lclfld.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling seeded_qmr_real.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling qmr_seed_real.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). Compiling seeded_qmr_real_augment.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling seeded_qmr_complex.F... seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(4)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_broadcast.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(4)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dimqm_util.F... dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/LOGICAL(4)). Compiling dimqm_addop_uhf.F... dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Got lock on /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.lock ar rU /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ranlib /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a Making libraries in 64to32blas grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[2]: '/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/lib64to32.a' is up to date. grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - /usr/bin/make nwchem.o stubs.o grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - grep: warning: stray \ before - egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E gfortran -fno-tree-dominator-opts -std=legacy -m32 -march=pentium4 -mtune=pentium4 -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -I. -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich -DLINUX -DGFORTRAN -DGCC46 -DCHKUNDFLW -DGCC4 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9'" -DNWCHEM_BRANCH="'7.0.2'" -c -o nwchem.o nwchem.F gfortran -fno-tree-dominator-opts -std=legacy -m32 -march=pentium4 -mtune=pentium4 -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -I. -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/include -I/usr/include -I/usr/include/mpich-i386 -I/usr/lib/gfortran/modules/mpich -DLINUX -DGFORTRAN -DGCC46 -DCHKUNDFLW -DGCC4 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9'" -DNWCHEM_BRANCH="'7.0.2'" -c -o stubs.o stubs.F gfortran -fno-tree-dominator-opts -std=legacy -m32 -march=pentium4 -mtune=pentium4 -Xlinker --export-dynamic -L/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX -L/usr/lib -L/usr/lib/mpich/lib -o /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -L/usr/lib -lflexiblas -l64to32 -L/usr/lib -lflexiblas -L/usr/lib -lflexiblas -L/usr/lib/mpich/lib -lmpifort -lmpi -lcomex -lflexiblas -lm -lscalapack -lflexiblas -lpthread -lm -lnwcutil -L/usr/lib -lpython3.11 -ldl -lm /bin/rm -f nwchem.o stubs.o all is built + mv ../bin/LINUX/nwchem ../bin/LINUX/nwchem_binary_mpich + echo '#!/bin/bash' + echo 'export FLEXIBLAS=openblas-serial' + echo -n 'nwchem_binary_mpich ' + echo '"$@"' + chmod 755 ../bin/LINUX/nwchem_mpich + cat ../bin/LINUX/nwchem_mpich #!/bin/bash export FLEXIBLAS=openblas-serial nwchem_binary_mpich "$@" + NWCHEM_TARGET=LINUX + /usr/bin/make USE_INTERNALBLAS=1 clean egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX test -d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX || mkdir -p /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX ./util/util_nwchem_version.bash which: no git in (/usr/lib/mpich/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) rm -f core *.o *.a *.trace Making clean in tools egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Not configured Making clean in include egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E make[1]: 'clean' is up to date. Making clean in basis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testbasis testbasis.o libcheck if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in geom egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in inp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o test hnd_rdfree.o hnd_rdfree if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in input egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ] ; then \ echo input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ fi ; \ fi ; Making clean in pstat egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in rtdb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in hdbm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test test.o rtdbtest rtdbtest.o interact context davetest context.o davetest.o interact.o rtdb_par_f2c.o cntx.o cntx testgr.o testgr if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo rtdb_seq.o rtdb_f2c.o rtdb.o context.o context_f2c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in task egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ] ; then \ echo task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwctask.a ; \ fi ; \ fi ; Making clean in symmetry egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in util egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in md5 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testsolve testecce if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ] ; then \ echo output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; Making clean in peigs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E (cd ./src/c; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o maxx.f F*.f rm -f *.c.* (cd ./src/f77; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o rm -f *.s rm -f dgetavec.f dlaebz2.f \ dspevx2.f dstebz3.f \ neblw2.f sneblw2.f sstebz3.f rm -f F*.f (cd ./comm; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o rm -f mxbrod.f rm -f mxcombv1.f rm -f mxsubs.f rm -f sum.f peigs_dgop.f (cd ./ctof; /usr/bin/make clean) egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f *.o Making clean in perfm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ fi ; \ fi ; Making clean in bq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ fi ; \ fi ; Making clean in cons egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ fi ; \ fi ; Making clean in NWints egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in simint egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in module egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in source egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in api egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in int egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in auxil egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in ints_sp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in deriv egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in texas egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in ecp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in hondo egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in rel egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in dk egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in atomscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ] ; then \ echo orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libguess.a ; \ fi ; \ fi ; Making clean in ddscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in fast egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ] ; then \ echo comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libddscf.a ; \ fi ; \ fi ; Making clean in gradients egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ] ; then \ echo gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libgradients.a ; \ fi ; \ fi ; Making clean in moints egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ] ; then \ echo atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmoints.a ; \ fi ; \ fi ; Making clean in nwdft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in include egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in input_dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in scf_dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in scf_dft_cg egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in so_dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in coulomb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in xc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in util egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in grid egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in dftgrad egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft_grad egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in zora egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in spec egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rt_tddft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in matutils egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rtutils egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in input egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in init egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in canorg egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in propagators egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in closedshell egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in openshell egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rimp2 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ] ; then \ echo rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/librimp2.a ; \ fi ; \ fi ; Making clean in stepper egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ] ; then \ echo stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libstepper.a ; \ fi ; \ fi ; Making clean in driver egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ] ; then \ echo opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdriver.a ; \ fi ; \ fi ; Making clean in optim egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in deloc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in mepgs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in tropt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in neb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in string egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in cphf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcphf.a ; \ fi ; \ fi ; Making clean in ccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ] ; then \ echo ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccsd.a ; \ fi ; \ fi ; Making clean in vib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ] ; then \ echo vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvib.a ; \ fi ; \ fi ; Making clean in mcscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in detci egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ] ; then \ echo mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmcscf.a ; \ fi ; \ fi ; Making clean in prepar egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ] ; then \ echo prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libprepar.a ; \ fi ; \ fi ; Making clean in esp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ] ; then \ echo esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libesp.a ; \ fi ; \ fi ; Making clean in hessian egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in analytic egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in dft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libhessian.a ; \ fi ; \ fi ; Making clean in selci egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ] ; then \ echo iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libselci.a ; \ fi ; \ fi ; Making clean in dplot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ] ; then \ echo dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdplot.a ; \ fi ; \ fi ; Making clean in mp2_grad egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ] ; then \ echo mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmp2.a ; \ fi ; \ fi ; Making clean in qhop egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqhop.a ; \ fi ; \ fi ; Making clean in property egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ] ; then \ echo hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libproperty.a ; \ fi ; \ fi ; Making clean in solvation egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ] ; then \ echo mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o hnd_cosmo_lib.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libsolvation.a ; \ fi ; \ fi ; Making clean in nwpw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in nwpwlib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in Parallel egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D1dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D3dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in Pneb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in K1dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in C3dB egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in DMatrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in CMatrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TMatrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in control egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in lattice egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in io egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ion egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in shake egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pseudopotential egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in paw_atom egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in utilities egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in paw_utilities egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in unitcell egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in brillouin_zone egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in fractional egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in linesearch egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in timing egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ewald egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in thermostats egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in MetaDynamics egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TAMD egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in FMM egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in md_xs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in FEFF6L egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in nwpwxc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in libraryps egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pspw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in lib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in psi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in electron egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ke egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in vdw-DF egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o pw91c.o pbe96c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in sic egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in hfx egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ion egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in psp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in kbpp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in makepsi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cgsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in analysis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in APC egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cell_optimize egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in qmmm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in pspw_LJ egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in mmq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in charge egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in dplot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in lcao egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in paw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in paw_geometry egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ma egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_utils egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_basis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_proj egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_matrix egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ovlp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_charge egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_special_functions egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_gaunt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_kinetic egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_vloc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ion_potential egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_core egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_hartree egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_pot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_mult egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_nonlocal egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_density egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_xc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_force egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_Grsm_list egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_psi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cgsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cell_optimize egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory make[2]: [../../config/makelib.h:299: clean] Error 1 (ignored) if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in band egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in minimizer egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in structure egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cell_optimize egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in kbpp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in makepsi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in lib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in cpsp egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ke egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in coulomb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in electron egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in psi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in hfx egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in borbs egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in dplot egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in analysis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in APC egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_APC.o band_Efield.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ofpw egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in minimizer egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in cpsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in lib egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in chi egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in electron egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in ke egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in WGC egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ] ; then \ echo nwpw_input.o nwpw_default.o nwpw_vectors_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpw.a ; \ fi ; \ fi ; Making clean in fft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in pfft1.0 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in fftpack egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; Making clean in pfft egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in pfftwrap egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libpfft.a ; \ fi ; \ fi ; Making clean in python egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ] ; then \ echo python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwpython.a ; \ fi ; \ fi ; Making clean in analyz egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ] ; then \ echo ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libanalyze.a ; \ fi ; \ fi ; Making clean in nwmd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ] ; then \ echo nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libnwmd.a ; \ fi ; \ fi ; Making clean in cafe egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ] ; then \ echo cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcafe.a ; \ fi ; \ fi ; Making clean in space egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libspace.a ; \ fi ; \ fi ; Making clean in drdy egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ] ; then \ echo atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdrdy.a ; \ fi ; \ fi ; Making clean in vscf egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libvscf.a ; \ fi ; \ fi ; Making clean in qmmm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ] ; then \ echo qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmmm.a ; \ fi ; \ fi ; Making clean in qmd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ] ; then \ echo qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libqmd.a ; \ fi ; \ fi ; Making clean in etrans egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ] ; then \ echo et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libetrans.a ; \ fi ; \ fi ; Making clean in tce egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E Making clean in include egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/ ; \ fi ; \ fi ; Making clean in diis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in diis2 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in gradients egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_lambda egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cr-eomccsd_t egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lrh egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in emb egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lccd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lccsd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in qcisd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cc3 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt1 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt2 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt3 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt4 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cis egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisd egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisdt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisdtq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_act egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd_act egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cr_eomccsd_t_act egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in sort egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ducc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ucc4 egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt_lambda egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsdt egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_alpha egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_beta egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_yr egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in response egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ] ; then \ echo tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in bq egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/include > dependencies egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libbq.a ; \ fi ; \ fi ; Making clean in mm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ] ; then \ echo mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libmm.a ; \ fi ; \ fi ; Making clean in cons egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/include > dependencies egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libcons.a ; \ fi ; \ fi ; Making clean in perfm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x -I/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/install/include > dependencies egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libperfm.a ; \ fi ; \ fi ; Making clean in dntmc egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdntmc.a ; \ fi ; \ fi ; Making clean in dangchang egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdangchang.a ; \ fi ; \ fi ; Making clean in ccca egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libccca.a ; \ fi ; \ fi ; Making clean in dimqm egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ] ; then \ echo dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/lib/LINUX/libdimqm.a ; \ fi ; \ fi ; Making clean in config egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E egrep: warning: egrep is obsolescent; using grep -E /bin/rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/depend.x depend.o + cd .. + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/66/exe ']' +++ /usr/bin/readlink /proc/66/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/mpich-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + rm -f make.sh settings.sh + cat + cat + cat + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.Z3a7an + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386 ++ dirname /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386 + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 + mkdir -p /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/etc ++ find /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name '*.bak' + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwpw/nwpwlib/utilities/paw_utilities/nwpw_gaunt.F.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwpw/nwpwlib/D3dB/hilbert.c.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwpw/libraryps/paw_default/Al.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwpw/libraryps/HGH_LDA/C.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/nwpw/nwpwlib/utilities/paw_utilities/nwpw_gaunt.F.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/nwpw/nwpwlib/D3dB/hilbert.c.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/nwpw/libraryps/paw_default/Al.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/nwpw/libraryps/HGH_LDA/C.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/web/doc/user.4.6/user.html.bak + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1232709/exe ']' +++ /usr/bin/readlink /proc/1232709/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/openmpi-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export OMPI_MCA_rmaps_base_oversubscribe=1 + OMPI_MCA_rmaps_base_oversubscribe=1 + mkdir -p /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386//usr/lib/openmpi/bin + install -p -m 755 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_binary_openmpi /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386//usr/lib/openmpi/bin + install -p -m 755 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386//usr/lib/openmpi/bin + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1232709/exe ']' +++ /usr/bin/readlink /proc/1232709/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/openmpi-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1232709/exe ']' +++ /usr/bin/readlink /proc/1232709/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/mpich-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + mkdir -p /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386//usr/lib/mpich/bin + install -p -m 755 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_binary_mpich /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386//usr/lib/mpich/bin + install -p -m 755 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386//usr/lib/mpich/bin + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1232709/exe ']' +++ /usr/bin/readlink /proc/1232709/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/mpich-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + mkdir -p /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem + cp -rp /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/amber_q /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/amber_s /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/amber_t /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/amber_u /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/amber_x /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/charmm_s /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/charmm_x /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/data/solvents /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem + cp -rp /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/basis/libraries /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem + cp -rp /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwpw/libraryps /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem + rm -f /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/MakeFile /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/nwpw_inp.fh /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/nwpw_libfile.F /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/nwpw_library.F /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/nwpw_set_library.F /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/dependencies /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/include_stamp + install -p -m 444 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/compile_mpich.sh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/compile_openmpi.sh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/nwchem.csh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/nwchem.sh /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem + install -p -m 444 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/nwchemrc /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem + install -p -m 444 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/nwchemrc /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/etc + mkdir -p /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/etc/profile.d + install -p -m 444 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/nwchem.csh /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/nwchem.sh /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/etc/profile.d ++ find /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name '*.log' + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/make_nwchem_config_mpich.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/make_nwchem_config_openmpi.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/web/doc/user.4.6/images.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/oh3/oh3tr5.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/oh3/oh3tr4.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/oh3/oh3tr3.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/oh3/oh3tr2.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/oh3/oh3tr1.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/h3/h3tr5.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/h3/h3tr4.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/h3/h3tr3.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/h3/h3tr2.log + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/examples/dirdyvtst/h3/h3tr1.log ++ find /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name '*.sh' + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/nwchem.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/compile_mpich.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/nxtval.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/msmpi_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/tools/mingw64_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/smd/ctagit.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/rimp2_grad/doc/chbar.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/libext/scalapack/build_scalapa.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/libext/openblas/build_openblas.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/libext/mpich/build_mpich.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/NWints/simint/libsimint_source/build_simint.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/compile_openmpi.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/tools/nxtval.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/tools/msmpi_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/tools/mingw64_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/smd/ctagit.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/rimp2_grad/doc/chbar.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/libext/scalapack/build_scalapa.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/libext/openblas/build_openblas.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/libext/mpich/build_mpich.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src.orig/NWints/simint/libsimint_source/build_simint.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/travis/sleep_loop.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/travis/run_qas.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/travis/config_nwchem.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/travis/compile_nwchem.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/travis/check_failures.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/travis/build_env.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/xeonphi/dotar.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/xeonphi/build4xeonphi.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/marat/scripts/nw_gen_optimize.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/git.nwchem/generate_changelog.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/git.nwchem/download_count_releases.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/git.nwchem/dotar_release.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/git.nwchem/dotar68_git.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/fde/freeze_thaw_example/freeze_thaw.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/contrib/fde/freeze_thaw_example/clear_up.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/QA/sleep_loopqa.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386||g' /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/QA/round_esp.sh + /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 7.0.2-11.fc38 --unique-debug-suffix -7.0.2-11.fc38.i386 --unique-debug-src-base nwchem-7.0.2-11.fc38.i386 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 extracting debug info from /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/lib/mpich/bin/nwchem_binary_mpich extracting debug info from /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/lib/openmpi/bin/nwchem_binary_openmpi original debug info size: 26976kB, size after compression: 23004kB /usr/bin/sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match. 38014 blocks + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/check-rpaths + /usr/lib/rpm/redhat/brp-mangle-shebangs mangling shebang in /usr/lib/mpich/bin/nwchem_mpich from /bin/bash to #!/usr/bin/bash mangling shebang in /usr/lib/openmpi/bin/nwchem_openmpi from /bin/bash to #!/usr/bin/bash + /usr/lib/rpm/brp-remove-la-files + /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.LaPXFW + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 + export NWCHEM_TARGET=LINUX + NWCHEM_TARGET=LINUX + export NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraries/ + NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraries/ + export NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/ + NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/nwchem/libraryps/ + mv QA QA.orig.orig + cp -rp QA.orig.orig QA.orig + export NPROC=2 + NPROC=2 + export FLEXIBLAS=openblas-serial + FLEXIBLAS=openblas-serial + export 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' + TIMEOUT_OPTS='--preserve-status --kill-after 10 1800' + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1242514/exe ']' +++ /usr/bin/readlink /proc/1242514/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/openmpi-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export OMPI_MCA_rmaps_base_oversubscribe=1 + OMPI_MCA_rmaps_base_oversubscribe=1 + export 'OMPI_MCA_btl=^uct' + OMPI_MCA_btl='^uct' + export OMPI_MCA_btl_base_warn_component_unused=0 + OMPI_MCA_btl_base_warn_component_unused=0 + cp -rp QA.orig QA + cd QA + export LD_LIBRARY_PATH=/usr/lib/openmpi/lib + LD_LIBRARY_PATH=/usr/lib/openmpi/lib + export PATH=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX:/usr/lib/openmpi/bin:/usr/lib/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + PATH=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX:/usr/lib/openmpi/bin:/usr/lib/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + export MPIRUN_PATH=/usr/lib/openmpi/bin/mpiexec + MPIRUN_PATH=/usr/lib/openmpi/bin/mpiexec + export 'MPIRUN_NPOPT=-verbose -np' + MPIRUN_NPOPT='-verbose -np' + export NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi + NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi + timeout --preserve-status --kill-after 10 1800 time ./doafewqmtests.mpi 2 + tee ../doafewqmtests.mpi.2_openmpi.log ======================================================= QM: Running a very small subset of the available tests ======================================================= Running tests/h2o_opt/h2o_opt cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf743b375 in ??? #1 0xf743a48d in ??? #2 0xf7ee556f in ??? #3 0xf30c89f5 in ??? #4 0xf30c6b76 in ??? #5 0xf1f35e2b in ??? #6 0xf1f36766 in ??? #7 0xf1f39dfc in ??? #8 0xf770e2c5 in ??? #9 0xf771372f in ??? #10 0xf770ff5a in ??? #11 0xf64ea6cf in ??? #12 0xf7714e44 in ??? #13 0xf77174b8 in ??? #14 0xf77175e1 in ??? #15 0xf774cc46 in ??? #16 0xf7cb9310 in ??? #17 0xf7cb958c in ??? #18 0xf7cb95d4 in ??? #19 0xf7cb9676 in ??? #20 0xf7da3ce2 in ??? #21 0xf7da3e01 in ??? #22 0xf7da3eab in ??? #23 0xf7da3fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242574 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2403,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242561] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242561] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7515375 in ??? #1 0xf751448d in ??? #2 0xf7fbf56f in ??? #3 0xf31a49f5 in ??? #4 0xf31a2b76 in ??? #5 0xf200fe2b in ??? #6 0xf2010766 in ??? #7 0xf2013dfc in ??? #8 0xf77e82c5 in ??? #9 0xf77ed72f in ??? #10 0xf77e9f5a in ??? #11 0xf65c46cf in ??? #12 0xf77eee44 in ??? #13 0xf77f14b8 in ??? #14 0xf77f15e1 in ??? #15 0xf7826c46 in ??? #16 0xf7d93310 in ??? #17 0xf7d9358c in ??? #18 0xf7d935d4 in ??? #19 0xf7d93676 in ??? #20 0xf7e7dce2 in ??? #21 0xf7e7de01 in ??? #22 0xf7e7deab in ??? #23 0xf7e7dfcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242615 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2376,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242602] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242602] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74ca375 in ??? #1 0xf74c948d in ??? #2 0xf7f7456f in ??? #3 0xf32599f5 in ??? #4 0xf3257b76 in ??? #5 0xf1fc5e2b in ??? #6 0xf1fc6766 in ??? #7 0xf1fc9dfc in ??? #8 0xf779d2c5 in ??? #9 0xf77a272f in ??? #10 0xf779ef5a in ??? #11 0xf65796cf in ??? #12 0xf77a3e44 in ??? #13 0xf77a64b8 in ??? #14 0xf77a65e1 in ??? #15 0xf77dbc46 in ??? #16 0xf7d48310 in ??? #17 0xf7d4858c in ??? #18 0xf7d485d4 in ??? #19 0xf7d48676 in ??? #20 0xf7e32ce2 in ??? #21 0xf7e32e01 in ??? #22 0xf7e32eab in ??? #23 0xf7e32fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242656 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2737,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242643] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242643] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74e9375 in ??? #1 0xf74e848d in ??? #2 0xf7f9356f in ??? #3 0xf32789f5 in ??? #4 0xf3276b76 in ??? #5 0xf1fe7e2b in ??? #6 0xf1fe8766 in ??? #7 0xf1febdfc in ??? #8 0xf77bc2c5 in ??? #9 0xf77c172f in ??? #10 0xf77bdf5a in ??? #11 0xf65986cf in ??? #12 0xf77c2e44 in ??? #13 0xf77c54b8 in ??? #14 0xf77c55e1 in ??? #15 0xf77fac46 in ??? #16 0xf7d67310 in ??? #17 0xf7d6758c in ??? #18 0xf7d675d4 in ??? #19 0xf7d67676 in ??? #20 0xf7e51ce2 in ??? #21 0xf7e51e01 in ??? #22 0xf7e51eab in ??? #23 0xf7e51fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242697 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2718,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242684] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242684] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/cosmo_h2o_dft/cosmo_h2o_dft cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7450375 in ??? #1 0xf744f48d in ??? #2 0xf7efa56f in ??? #3 0xf30df9f5 in ??? #4 0xf30ddb76 in ??? #5 0xf1f50e2b in ??? #6 0xf1f51766 in ??? #7 0xf1f54dfc in ??? #8 0xf77232c5 in ??? #9 0xf772872f in ??? #10 0xf7724f5a in ??? #11 0xf64ff6cf in ??? #12 0xf7729e44 in ??? #13 0xf772c4b8 in ??? #14 0xf772c5e1 in ??? #15 0xf7761c46 in ??? #16 0xf7cce310 in ??? #17 0xf7cce58c in ??? #18 0xf7cce5d4 in ??? #19 0xf7cce676 in ??? #20 0xf7db8ce2 in ??? #21 0xf7db8e01 in ??? #22 0xf7db8eab in ??? #23 0xf7db8fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242738 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2759,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242725] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242725] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/pyqa3/pyqa3 cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7434375 in ??? #1 0xf743348d in ??? #2 0xf7ede56f in ??? #3 0xf30c39f5 in ??? #4 0xf30c1b76 in ??? #5 0xf1f2fe2b in ??? #6 0xf1f30766 in ??? #7 0xf1f33dfc in ??? #8 0xf77072c5 in ??? #9 0xf770c72f in ??? #10 0xf7708f5a in ??? #11 0xf64e36cf in ??? #12 0xf770de44 in ??? #13 0xf77104b8 in ??? #14 0xf77105e1 in ??? #15 0xf7745c46 in ??? #16 0xf7cb2310 in ??? #17 0xf7cb258c in ??? #18 0xf7cb25d4 in ??? #19 0xf7cb2676 in ??? #20 0xf7d9cce2 in ??? #21 0xf7d9ce01 in ??? #22 0xf7d9ceab in ??? #23 0xf7d9cfcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242779 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2604,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242766] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242766] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf743e375 in ??? #1 0xf743d48d in ??? #2 0xf7ee856f in ??? #3 0xf30cd9f5 in ??? #4 0xf30cbb76 in ??? #5 0xf1f3ee2b in ??? #6 0xf1f3f766 in ??? #7 0xf1f42dfc in ??? #8 0xf77112c5 in ??? #9 0xf771672f in ??? #10 0xf7712f5a in ??? #11 0xf64ed6cf in ??? #12 0xf7717e44 in ??? #13 0xf771a4b8 in ??? #14 0xf771a5e1 in ??? #15 0xf774fc46 in ??? #16 0xf7cbc310 in ??? #17 0xf7cbc58c in ??? #18 0xf7cbc5d4 in ??? #19 0xf7cbc676 in ??? #20 0xf7da6ce2 in ??? #21 0xf7da6e01 in ??? #22 0xf7da6eab in ??? #23 0xf7da6fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242820 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2581,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242807] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242807] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/tddft_n2+/tddft_n2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74d9375 in ??? #1 0xf74d848d in ??? #2 0xf7f8356f in ??? #3 0xf32689f5 in ??? #4 0xf3266b76 in ??? #5 0xf1fd1e2b in ??? #6 0xf1fd2766 in ??? #7 0xf1fd5dfc in ??? #8 0xf77ac2c5 in ??? #9 0xf77b172f in ??? #10 0xf77adf5a in ??? #11 0xf65886cf in ??? #12 0xf77b2e44 in ??? #13 0xf77b54b8 in ??? #14 0xf77b55e1 in ??? #15 0xf77eac46 in ??? #16 0xf7d57310 in ??? #17 0xf7d5758c in ??? #18 0xf7d575d4 in ??? #19 0xf7d57676 in ??? #20 0xf7e41ce2 in ??? #21 0xf7e41e01 in ??? #22 0xf7e41eab in ??? #23 0xf7e41fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242861 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2626,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242848] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242848] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/tddft_ac_co/tddft_ac_co cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74f0375 in ??? #1 0xf74ef48d in ??? #2 0xf7f9a56f in ??? #3 0xf327f9f5 in ??? #4 0xf327db76 in ??? #5 0xf1fece2b in ??? #6 0xf1fed766 in ??? #7 0xf1ff0dfc in ??? #8 0xf77c32c5 in ??? #9 0xf77c872f in ??? #10 0xf77c4f5a in ??? #11 0xf659f6cf in ??? #12 0xf77c9e44 in ??? #13 0xf77cc4b8 in ??? #14 0xf77cc5e1 in ??? #15 0xf7801c46 in ??? #16 0xf7d6e310 in ??? #17 0xf7d6e58c in ??? #18 0xf7d6e5d4 in ??? #19 0xf7d6e676 in ??? #20 0xf7e58ce2 in ??? #21 0xf7e58e01 in ??? #22 0xf7e58eab in ??? #23 0xf7e58fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242902 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2987,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242889] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242889] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/hi_zora_sf/hi_zora_sf cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74f7375 in ??? #1 0xf74f648d in ??? #2 0xf7fa156f in ??? #3 0xf32869f5 in ??? #4 0xf3284b76 in ??? #5 0xf1ff1e2b in ??? #6 0xf1ff2766 in ??? #7 0xf1ff5dfc in ??? #8 0xf77ca2c5 in ??? #9 0xf77cf72f in ??? #10 0xf77cbf5a in ??? #11 0xf65a66cf in ??? #12 0xf77d0e44 in ??? #13 0xf77d34b8 in ??? #14 0xf77d35e1 in ??? #15 0xf7808c46 in ??? #16 0xf7d75310 in ??? #17 0xf7d7558c in ??? #18 0xf7d755d4 in ??? #19 0xf7d75676 in ??? #20 0xf7e5fce2 in ??? #21 0xf7e5fe01 in ??? #22 0xf7e5feab in ??? #23 0xf7e5ffcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242943 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2960,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242930] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242930] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/prop_ch3f/prop_ch3f cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7504375 in ??? #1 0xf750348d in ??? #2 0xf7fae56f in ??? #3 0xf32939f5 in ??? #4 0xf3291b76 in ??? #5 0xf1ff1e2b in ??? #6 0xf1ff2766 in ??? #7 0xf1ff5dfc in ??? #8 0xf77d72c5 in ??? #9 0xf77dc72f in ??? #10 0xf77d8f5a in ??? #11 0xf65b36cf in ??? #12 0xf77dde44 in ??? #13 0xf77e04b8 in ??? #14 0xf77e05e1 in ??? #15 0xf7815c46 in ??? #16 0xf7d82310 in ??? #17 0xf7d8258c in ??? #18 0xf7d825d4 in ??? #19 0xf7d82676 in ??? #20 0xf7e6cce2 in ??? #21 0xf7e6ce01 in ??? #22 0xf7e6ceab in ??? #23 0xf7e6cfcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1242984 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[3065,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1242971] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1242971] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2_bnl/h2_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf750f375 in ??? #1 0xf750e48d in ??? #2 0xf7fb956f in ??? #3 0xf319d9f5 in ??? #4 0xf319bb76 in ??? #5 0xf2009e2b in ??? #6 0xf200a766 in ??? #7 0xf200ddfc in ??? #8 0xf77e22c5 in ??? #9 0xf77e772f in ??? #10 0xf77e3f5a in ??? #11 0xf65be6cf in ??? #12 0xf77e8e44 in ??? #13 0xf77eb4b8 in ??? #14 0xf77eb5e1 in ??? #15 0xf7820c46 in ??? #16 0xf7d8d310 in ??? #17 0xf7d8d58c in ??? #18 0xf7d8d5d4 in ??? #19 0xf7d8d676 in ??? #20 0xf7e77ce2 in ??? #21 0xf7e77e01 in ??? #22 0xf7e77eab in ??? #23 0xf7e77fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243025 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2854,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243012] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243012] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o_bnl/h2o_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74ac375 in ??? #1 0xf74ab48d in ??? #2 0xf7f5656f in ??? #3 0xf323b9f5 in ??? #4 0xf3239b76 in ??? #5 0xf300fe2b in ??? #6 0xf3010766 in ??? #7 0xf3013dfc in ??? #8 0xf777f2c5 in ??? #9 0xf778472f in ??? #10 0xf7780f5a in ??? #11 0xf655b6cf in ??? #12 0xf7785e44 in ??? #13 0xf77884b8 in ??? #14 0xf77885e1 in ??? #15 0xf77bdc46 in ??? #16 0xf7d2a310 in ??? #17 0xf7d2a58c in ??? #18 0xf7d2a5d4 in ??? #19 0xf7d2a676 in ??? #20 0xf7e14ce2 in ??? #21 0xf7e14e01 in ??? #22 0xf7e14eab in ??? #23 0xf7e14fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243066 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2831,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243053] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243053] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o-camb3lyp-pol/h2o-camb3lyp-pol cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7468375 in ??? #1 0xf746748d in ??? #2 0xf7f1256f in ??? #3 0xf30f49f5 in ??? #4 0xf30f2b76 in ??? #5 0xf1f55e2b in ??? #6 0xf1f56766 in ??? #7 0xf1f59dfc in ??? #8 0xf773b2c5 in ??? #9 0xf774072f in ??? #10 0xf773cf5a in ??? #11 0xf65176cf in ??? #12 0xf7741e44 in ??? #13 0xf77444b8 in ??? #14 0xf77445e1 in ??? #15 0xf7779c46 in ??? #16 0xf7ce6310 in ??? #17 0xf7ce658c in ??? #18 0xf7ce65d4 in ??? #19 0xf7ce6676 in ??? #20 0xf7dd0ce2 in ??? #21 0xf7dd0e01 in ??? #22 0xf7dd0eab in ??? #23 0xf7dd0fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243107 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2932,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243094] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243094] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o-cambeckehh/h2o-cambeckehh cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7492375 in ??? #1 0xf749148d in ??? #2 0xf7f3c56f in ??? #3 0xf30f49f5 in ??? #4 0xf30f2b76 in ??? #5 0xf1f7ee2b in ??? #6 0xf1f7f766 in ??? #7 0xf1f82dfc in ??? #8 0xf77652c5 in ??? #9 0xf776a72f in ??? #10 0xf7766f5a in ??? #11 0xf65416cf in ??? #12 0xf776be44 in ??? #13 0xf776e4b8 in ??? #14 0xf776e5e1 in ??? #15 0xf77a3c46 in ??? #16 0xf7d10310 in ??? #17 0xf7d1058c in ??? #18 0xf7d105d4 in ??? #19 0xf7d10676 in ??? #20 0xf7dface2 in ??? #21 0xf7dfae01 in ??? #22 0xf7dfaeab in ??? #23 0xf7dfafcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243148 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[2909,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243135] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243135] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o-campbe0/h2o-campbe0 cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7445375 in ??? #1 0xf744448d in ??? #2 0xf7eef56f in ??? #3 0xf30d49f5 in ??? #4 0xf30d2b76 in ??? #5 0xf1f3ee2b in ??? #6 0xf1f3f766 in ??? #7 0xf1f42dfc in ??? #8 0xf77182c5 in ??? #9 0xf771d72f in ??? #10 0xf7719f5a in ??? #11 0xf64f46cf in ??? #12 0xf771ee44 in ??? #13 0xf77214b8 in ??? #14 0xf77215e1 in ??? #15 0xf7756c46 in ??? #16 0xf7cc3310 in ??? #17 0xf7cc358c in ??? #18 0xf7cc35d4 in ??? #19 0xf7cc3676 in ??? #20 0xf7dadce2 in ??? #21 0xf7dade01 in ??? #22 0xf7dadeab in ??? #23 0xf7dadfcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243189 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1162,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243176] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243176] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o-lcpbe/h2o-lcpbe cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74c5375 in ??? #1 0xf74c448d in ??? #2 0xf7f6f56f in ??? #3 0xf32549f5 in ??? #4 0xf3252b76 in ??? #5 0xf1fbfe2b in ??? #6 0xf1fc0766 in ??? #7 0xf1fc3dfc in ??? #8 0xf77982c5 in ??? #9 0xf779d72f in ??? #10 0xf7799f5a in ??? #11 0xf65746cf in ??? #12 0xf779ee44 in ??? #13 0xf77a14b8 in ??? #14 0xf77a15e1 in ??? #15 0xf77d6c46 in ??? #16 0xf7d43310 in ??? #17 0xf7d4358c in ??? #18 0xf7d435d4 in ??? #19 0xf7d43676 in ??? #20 0xf7e2dce2 in ??? #21 0xf7e2de01 in ??? #22 0xf7e2deab in ??? #23 0xf7e2dfcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243230 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1267,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243217] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243217] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/o2_bnl/o2_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7436375 in ??? #1 0xf743548d in ??? #2 0xf7ee056f in ??? #3 0xf30c39f5 in ??? #4 0xf30c1b76 in ??? #5 0xf1f2fe2b in ??? #6 0xf1f30766 in ??? #7 0xf1f33dfc in ??? #8 0xf77092c5 in ??? #9 0xf770e72f in ??? #10 0xf770af5a in ??? #11 0xf64e56cf in ??? #12 0xf770fe44 in ??? #13 0xf77124b8 in ??? #14 0xf77125e1 in ??? #15 0xf7747c46 in ??? #16 0xf7cb4310 in ??? #17 0xf7cb458c in ??? #18 0xf7cb45d4 in ??? #19 0xf7cb4676 in ??? #20 0xf7d9ece2 in ??? #21 0xf7d9ee01 in ??? #22 0xf7d9eeab in ??? #23 0xf7d9efcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243271 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1240,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243258] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243258] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/o2_hfattn/o2_hfattn cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74dc375 in ??? #1 0xf74db48d in ??? #2 0xf7f8656f in ??? #3 0xf326b9f5 in ??? #4 0xf3269b76 in ??? #5 0xf1fdee2b in ??? #6 0xf1fdf766 in ??? #7 0xf1fe2dfc in ??? #8 0xf77af2c5 in ??? #9 0xf77b472f in ??? #10 0xf77b0f5a in ??? #11 0xf658b6cf in ??? #12 0xf77b5e44 in ??? #13 0xf77b84b8 in ??? #14 0xf77b85e1 in ??? #15 0xf77edc46 in ??? #16 0xf7d5a310 in ??? #17 0xf7d5a58c in ??? #18 0xf7d5a5d4 in ??? #19 0xf7d5a676 in ??? #20 0xf7e44ce2 in ??? #21 0xf7e44e01 in ??? #22 0xf7e44eab in ??? #23 0xf7e44fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243312 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1025,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243299] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243299] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/dmo_tddft_cd/dmo_tddft_cd cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74df375 in ??? #1 0xf74de48d in ??? #2 0xf7f8956f in ??? #3 0xf326e9f5 in ??? #4 0xf326cb76 in ??? #5 0xf1fe3e2b in ??? #6 0xf1fe4766 in ??? #7 0xf1fe7dfc in ??? #8 0xf77b22c5 in ??? #9 0xf77b772f in ??? #10 0xf77b3f5a in ??? #11 0xf658e6cf in ??? #12 0xf77b8e44 in ??? #13 0xf77bb4b8 in ??? #14 0xf77bb5e1 in ??? #15 0xf77f0c46 in ??? #16 0xf7d5d310 in ??? #17 0xf7d5d58c in ??? #18 0xf7d5d5d4 in ??? #19 0xf7d5d676 in ??? #20 0xf7e47ce2 in ??? #21 0xf7e47e01 in ??? #22 0xf7e47eab in ??? #23 0xf7e47fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243353 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1134,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243340] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243340] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/dmo_tddft_cd_velocity/dmo_tddft_cd_velocity cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7468375 in ??? #1 0xf746748d in ??? #2 0xf7f1256f in ??? #3 0xf30f49f5 in ??? #4 0xf30f2b76 in ??? #5 0xf1f55e2b in ??? #6 0xf1f56766 in ??? #7 0xf1f59dfc in ??? #8 0xf773b2c5 in ??? #9 0xf774072f in ??? #10 0xf773cf5a in ??? #11 0xf65176cf in ??? #12 0xf7741e44 in ??? #13 0xf77444b8 in ??? #14 0xf77445e1 in ??? #15 0xf7779c46 in ??? #16 0xf7ce6310 in ??? #17 0xf7ce658c in ??? #18 0xf7ce65d4 in ??? #19 0xf7ce6676 in ??? #20 0xf7dd0ce2 in ??? #21 0xf7dd0e01 in ??? #22 0xf7dd0eab in ??? #23 0xf7dd0fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243394 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1111,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243381] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243381] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o-response/h2o-response cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf74a6375 in ??? #1 0xf74a548d in ??? #2 0xf7f5056f in ??? #3 0xf32359f5 in ??? #4 0xf3233b76 in ??? #5 0xf3009e2b in ??? #6 0xf300a766 in ??? #7 0xf300ddfc in ??? #8 0xf77792c5 in ??? #9 0xf777e72f in ??? #10 0xf777af5a in ??? #11 0xf65556cf in ??? #12 0xf777fe44 in ??? #13 0xf77824b8 in ??? #14 0xf77825e1 in ??? #15 0xf77b7c46 in ??? #16 0xf7d24310 in ??? #17 0xf7d2458c in ??? #18 0xf7d245d4 in ??? #19 0xf7d24676 in ??? #20 0xf7e0ece2 in ??? #21 0xf7e0ee01 in ??? #22 0xf7e0eeab in ??? #23 0xf7e0efcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243435 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1468,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243422] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243422] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o2-response/h2o2-response cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7421375 in ??? #1 0xf742048d in ??? #2 0xf7ecb56f in ??? #3 0xf30b09f5 in ??? #4 0xf30aeb76 in ??? #5 0xf1f1de2b in ??? #6 0xf1f1e766 in ??? #7 0xf1f21dfc in ??? #8 0xf76f42c5 in ??? #9 0xf76f972f in ??? #10 0xf76f5f5a in ??? #11 0xf64d06cf in ??? #12 0xf76fae44 in ??? #13 0xf76fd4b8 in ??? #14 0xf76fd5e1 in ??? #15 0xf7732c46 in ??? #16 0xf7c9f310 in ??? #17 0xf7c9f58c in ??? #18 0xf7c9f5d4 in ??? #19 0xf7c9f676 in ??? #20 0xf7d89ce2 in ??? #21 0xf7d89e01 in ??? #22 0xf7d89eab in ??? #23 0xf7d89fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243476 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1509,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243463] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243463] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o2-response-uhf/h2o2-response-uhf cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf742e375 in ??? #1 0xf742d48d in ??? #2 0xf7ed856f in ??? #3 0xf30bc9f5 in ??? #4 0xf30bab76 in ??? #5 0xf1f29e2b in ??? #6 0xf1f2a766 in ??? #7 0xf1f2ddfc in ??? #8 0xf77012c5 in ??? #9 0xf770672f in ??? #10 0xf7702f5a in ??? #11 0xf64dd6cf in ??? #12 0xf7707e44 in ??? #13 0xf770a4b8 in ??? #14 0xf770a5e1 in ??? #15 0xf773fc46 in ??? #16 0xf7cac310 in ??? #17 0xf7cac58c in ??? #18 0xf7cac5d4 in ??? #19 0xf7cac676 in ??? #20 0xf7d96ce2 in ??? #21 0xf7d96e01 in ??? #22 0xf7d96eab in ??? #23 0xf7d96fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243517 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1490,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243504] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243504] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o2-response-uhf-damping/h2o2-response-uhf-damping cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf743a375 in ??? #1 0xf743948d in ??? #2 0xf7ee456f in ??? #3 0xf30c89f5 in ??? #4 0xf30c6b76 in ??? #5 0xf1f35e2b in ??? #6 0xf1f36766 in ??? #7 0xf1f39dfc in ??? #8 0xf770d2c5 in ??? #9 0xf771272f in ??? #10 0xf770ef5a in ??? #11 0xf64e96cf in ??? #12 0xf7713e44 in ??? #13 0xf77164b8 in ??? #14 0xf77165e1 in ??? #15 0xf774bc46 in ??? #16 0xf7cb8310 in ??? #17 0xf7cb858c in ??? #18 0xf7cb85d4 in ??? #19 0xf7cb8676 in ??? #20 0xf7da2ce2 in ??? #21 0xf7da2e01 in ??? #22 0xf7da2eab in ??? #23 0xf7da2fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243558 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1339,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243545] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243545] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Running tests/h2o2-prop-notrans/h2o2-prop-notrans cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi) with 2 processors NWChem execution failed Local host: b808201786db4b1fb836ccabdc83b4f2 System call: mmap(2) Error: Bad address (errno 14) -------------------------------------------------------------------------- Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf7438375 in ??? #1 0xf743748d in ??? #2 0xf7ee256f in ??? #3 0xf30c39f5 in ??? #4 0xf30c1b76 in ??? #5 0xf1f2fe2b in ??? #6 0xf1f30766 in ??? #7 0xf1f33dfc in ??? #8 0xf770b2c5 in ??? #9 0xf771072f in ??? #10 0xf770cf5a in ??? #11 0xf64e76cf in ??? #12 0xf7711e44 in ??? #13 0xf77144b8 in ??? #14 0xf77145e1 in ??? #15 0xf7749c46 in ??? #16 0xf7cb6310 in ??? #17 0xf7cb658c in ??? #18 0xf7cb65d4 in ??? #19 0xf7cb6676 in ??? #20 0xf7da0ce2 in ??? #21 0xf7da0e01 in ??? #22 0xf7da0eab in ??? #23 0xf7da0fcf in ??? #24 0x814ba73 in nwchem at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:95 #25 0x814c57b in main at /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/src/nwchem.F:404 /builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_openmpi: line 3: 1243599 Segmentation fault (core dumped) nwchem_binary_openmpi "$@" -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[1376,1],1] Exit code: 139 -------------------------------------------------------------------------- [b808201786db4b1fb836ccabdc83b4f2:1243586] 1 more process has sent help message help-opal-shmem-mmap.txt / sys call fail [b808201786db4b1fb836ccabdc83b4f2:1243586] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Failed Command exited with non-zero status 1 5.56user 5.14system 0:39.76elapsed 26%CPU (0avgtext+0avgdata 40068maxresident)k 0inputs+11808outputs (0major+316198minor)pagefaults 0swaps + mv testoutputs ../testoutputs.doafewqmtests.mpi.2_openmpi.log + cd .. + rm -rf QA + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1242514/exe ']' +++ /usr/bin/readlink /proc/1242514/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/openmpi-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1242514/exe ']' +++ /usr/bin/readlink /proc/1242514/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/mpich-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export HYDRA_DEBUG=0 + HYDRA_DEBUG=0 + cp -rp QA.orig QA + cd QA + export LD_LIBRARY_PATH=/usr/lib/mpich/lib + LD_LIBRARY_PATH=/usr/lib/mpich/lib + export PATH=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX:/usr/lib/mpich/bin:/usr/lib/mpich/bin:/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX:/usr/lib/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + PATH=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX:/usr/lib/mpich/bin:/usr/lib/mpich/bin:/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX:/usr/lib/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + export MPIRUN_PATH=/usr/lib/mpich/bin/mpiexec + MPIRUN_PATH=/usr/lib/mpich/bin/mpiexec + export 'MPIRUN_NPOPT=-verbose -np' + MPIRUN_NPOPT='-verbose -np' + export NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich + NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich + tee ../doafewqmtests.mpi.2_mpich.log + timeout --preserve-status --kill-after 10 1800 time ./doafewqmtests.mpi 2 ======================================================= QM: Running a very small subset of the available tests ======================================================= Running tests/h2o_opt/h2o_opt cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/cosmo_h2o_dft/cosmo_h2o_dft cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/pyqa3/pyqa3 cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/tddft_n2+/tddft_n2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/tddft_ac_co/tddft_ac_co cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/hi_zora_sf/hi_zora_sf cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/prop_ch3f/prop_ch3f cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2_bnl/h2_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o_bnl/h2o_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o-camb3lyp-pol/h2o-camb3lyp-pol cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o-cambeckehh/h2o-cambeckehh cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o-campbe0/h2o-campbe0 cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o-lcpbe/h2o-lcpbe cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/o2_bnl/o2_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/o2_hfattn/o2_hfattn cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/dmo_tddft_cd/dmo_tddft_cd cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/dmo_tddft_cd_velocity/dmo_tddft_cd_velocity cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o-response/h2o-response cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o2-response/h2o2-response cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o2-response-uhf/h2o2-response-uhf cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o2-response-uhf-damping/h2o2-response-uhf-damping cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o2-prop-notrans/h2o2-prop-notrans cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9/bin/LINUX/nwchem_mpich) with 2 processors verifying output ... OK OK 1030.83user 342.89system 11:29.81elapsed 199%CPU (0avgtext+0avgdata 83776maxresident)k 0inputs+7424outputs (0major+867559minor)pagefaults 0swaps + mv testoutputs ../testoutputs.doafewqmtests.mpi.2_mpich.log + cd .. + rm -rf QA + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/1242514/exe ']' +++ /usr/bin/readlink /proc/1242514/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/mpich-i386 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + mv QA.orig QA + RPM_EC=0 ++ jobs -p + exit 0 Processing files: nwchem-7.0.2-11.fc38.i686 Processing files: nwchem-openmpi-7.0.2-11.fc38.i686 Provides: nwchem-openmpi = 7.0.2-11.fc38 nwchem-openmpi(x86-32) = 7.0.2-11.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/bash libarmci.so.0(openmpi-i386) libc.so.6 libc.so.6(GLIBC_2.0) libc.so.6(GLIBC_2.1) libc.so.6(GLIBC_2.3) libc.so.6(GLIBC_2.3.3) libc.so.6(GLIBC_2.33) libc.so.6(GLIBC_2.34) libc.so.6(GLIBC_2.7) libcomex.so.0(openmpi-i386) libflexiblas.so.3 libga.so.1(openmpi-i386) libgcc_s.so.1 libgcc_s.so.1(GCC_4.0.0) libgfortran.so.5 libgfortran.so.5(GFORTRAN_10) libgfortran.so.5(GFORTRAN_8) libm.so.6 libm.so.6(GLIBC_2.0) libm.so.6(GLIBC_2.1) libm.so.6(GLIBC_2.27) libm.so.6(GLIBC_2.29) libmpi.so.40(openmpi-i386) libmpi_mpifh.so.40(openmpi-i386) libmpi_usempi_ignore_tkr.so.40(openmpi-i386) libmpi_usempif08.so.40(openmpi-i386) libpython3.11.so.1.0 libscalapack.so.2(openmpi-i386) rtld(GNU_HASH) Processing files: nwchem-mpich-7.0.2-11.fc38.i686 Provides: nwchem-mpich = 7.0.2-11.fc38 nwchem-mpich(x86-32) = 7.0.2-11.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/bash libarmci.so.0(mpich-i386) libc.so.6 libc.so.6(GLIBC_2.0) libc.so.6(GLIBC_2.1) libc.so.6(GLIBC_2.3) libc.so.6(GLIBC_2.3.3) libc.so.6(GLIBC_2.33) libc.so.6(GLIBC_2.34) libc.so.6(GLIBC_2.7) libcomex.so.0(mpich-i386) libflexiblas.so.3 libga.so.1(mpich-i386) libgcc_s.so.1 libgcc_s.so.1(GCC_4.0.0) libgfortran.so.5 libgfortran.so.5(GFORTRAN_10) libgfortran.so.5(GFORTRAN_8) libm.so.6 libm.so.6(GLIBC_2.0) libm.so.6(GLIBC_2.1) libm.so.6(GLIBC_2.27) libm.so.6(GLIBC_2.29) libmpi.so.12(mpich-i386) libmpifort.so.12(mpich-i386) libpython3.11.so.1.0 libscalapack.so.2(mpich-i386) rtld(GNU_HASH) Processing files: nwchem-common-7.0.2-11.fc38.noarch Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.9Rl4AQ + umask 022 + cd /builddir/build/BUILD + cd nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 + DOCDIR=/builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/doc/nwchem-common + export LC_ALL=C + LC_ALL=C + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/doc/nwchem-common + cp -pr LICENSE.TXT /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386/usr/share/doc/nwchem-common + RPM_EC=0 ++ jobs -p + exit 0 Provides: config(nwchem-common) = 7.0.2-11.fc38 nwchem-common = 7.0.2-11.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: nwchem-debugsource-7.0.2-11.fc38.i686 Provides: nwchem-debugsource = 7.0.2-11.fc38 nwchem-debugsource(x86-32) = 7.0.2-11.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: nwchem-debuginfo-7.0.2-11.fc38.i686 Provides: nwchem-debuginfo = 7.0.2-11.fc38 nwchem-debuginfo(x86-32) = 7.0.2-11.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: nwchem-debugsource(x86-32) = 7.0.2-11.fc38 Processing files: nwchem-openmpi-debuginfo-7.0.2-11.fc38.i686 Provides: debuginfo(build-id) = 159660a339653e4eea43fabc7203a512d6dd3e19 nwchem-openmpi-debuginfo = 7.0.2-11.fc38 nwchem-openmpi-debuginfo(x86-32) = 7.0.2-11.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: nwchem-debugsource(x86-32) = 7.0.2-11.fc38 Processing files: nwchem-mpich-debuginfo-7.0.2-11.fc38.i686 Provides: debuginfo(build-id) = a43d9141a2879c2a27d629313418f1eb94ee67d0 nwchem-mpich-debuginfo = 7.0.2-11.fc38 nwchem-mpich-debuginfo(x86-32) = 7.0.2-11.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: nwchem-debugsource(x86-32) = 7.0.2-11.fc38 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386 Wrote: /builddir/build/RPMS/nwchem-mpich-7.0.2-11.fc38.i686.rpm Wrote: /builddir/build/RPMS/nwchem-openmpi-7.0.2-11.fc38.i686.rpm Wrote: /builddir/build/RPMS/nwchem-debugsource-7.0.2-11.fc38.i686.rpm Wrote: /builddir/build/RPMS/nwchem-mpich-debuginfo-7.0.2-11.fc38.i686.rpm Wrote: /builddir/build/RPMS/nwchem-openmpi-debuginfo-7.0.2-11.fc38.i686.rpm Wrote: /builddir/build/RPMS/nwchem-debuginfo-7.0.2-11.fc38.i686.rpm Wrote: /builddir/build/RPMS/nwchem-7.0.2-11.fc38.i686.rpm Wrote: /builddir/build/RPMS/nwchem-common-7.0.2-11.fc38.noarch.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.LVbpeK + umask 022 + cd /builddir/build/BUILD + cd nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 + /usr/bin/rm -rf /builddir/build/BUILDROOT/nwchem-7.0.2-11.fc38.i386 + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.fRMVSg + umask 022 + cd /builddir/build/BUILD + rm -rf nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9 nwchem-5d4a0e84c8f8d9656a0ac37e796a9a4eff8c5ad9.gemspec + RPM_EC=0 ++ jobs -p + exit 0 Child return code was: 0