Mock Version: 1.4.13 ENTER ['do'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target ppc64le --nodeps /builddir/build/SPECS/openmx.spec'], chrootPath='/var/lib/mock/829489-fedora-rawhide-ppc64le-1543198303.391841/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': 'en_US.UTF-8'}shell=Falselogger=timeout=0uid=1001gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.k1hzojsk:/etc/resolv.conf']unshare_net=TrueprintOutput=True) Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '8115441598d34c37a6b588a5e4efa18c', '-D', '/var/lib/mock/829489-fedora-rawhide-ppc64le-1543198303.391841/root', '-a', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.k1hzojsk:/etc/resolv.conf', '--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=en_US.UTF-8', '-u', 'mockbuild', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target ppc64le --nodeps /builddir/build/SPECS/openmx.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': 'en_US.UTF-8'} and shell False Building target platforms: ppc64le Building for target ppc64le Wrote: /builddir/build/SRPMS/openmx-3.8.5-3.fc30.src.rpm Child return code was: 0 ENTER ['do'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target ppc64le --nodeps /builddir/build/SPECS/openmx.spec'], chrootPath='/var/lib/mock/829489-fedora-rawhide-ppc64le-1543198303.391841/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': 'en_US.UTF-8'}shell=Falselogger=timeout=0uid=1001gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.k1hzojsk:/etc/resolv.conf']unshare_net=TrueprintOutput=True) Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'd9cfad8f66ec4233bf38b7b139001bee', '-D', '/var/lib/mock/829489-fedora-rawhide-ppc64le-1543198303.391841/root', '-a', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.k1hzojsk:/etc/resolv.conf', '--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=en_US.UTF-8', '-u', 'mockbuild', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target ppc64le --nodeps /builddir/build/SPECS/openmx.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': 'en_US.UTF-8'} and shell False Building target platforms: ppc64le Building for target ppc64le Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.ZGb2JE + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf openmx3.8 + /usr/bin/gzip -dc /builddir/build/SOURCES/openmx3.8.tar.gz + /usr/bin/tar -xof - + STATUS=0 + '[' 0 -ne 0 ']' + cd openmx3.8 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + cp -p /builddir/build/SOURCES/COPYING /builddir/build/SOURCES/LICENSE . + cd source + tar -zxf /builddir/build/SOURCES/patch3.8.5.tar.gz + cd .. + find source/liberi-091216/ '(' -name '*.oo' -o -name '*.o' -o -name test_pp ')' -delete + for mpi in mpich openmpi + cp -pr source mpich + for mpi in mpich openmpi + cp -pr source openmpi + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.yKLXVR + umask 022 + cd /builddir/build/BUILD + cd openmx3.8 + for mpi in mpich openmpi + module load mpi/mpich-ppc64le BUILDSTDERR: ++ /usr/share/lmod/lmod/libexec/lmod bash load mpi/mpich-ppc64le + eval '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1;' export '__LMOD_REF_COUNT_LD_LIBRARY_PATH;' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib;' export 'LD_LIBRARY_PATH;' '__LMOD_REF_COUNT_LOADEDMODULES=mpi/mpich-ppc64le:1;' export '__LMOD_REF_COUNT_LOADEDMODULES;' 'LOADEDMODULES=mpi/mpich-ppc64le;' export 'LOADEDMODULES;' '__LMOD_REF_COUNT_MANPATH=/usr/share/man/mpich-ppc64le:1\;/usr/share/lmod/lmod/share/man:1;' export '__LMOD_REF_COUNT_MANPATH;' 'MANPATH=:/usr/share/man/mpich-ppc64le:/usr/share/lmod/lmod/share/man;' export 'MANPATH;' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1\;/usr/share/modulefiles:1\;/usr/share/modulefiles/Linux:1\;/usr/share/modulefiles/Core:1\;/usr/share/lmod/lmod/modulefiles/Core:1;' export '__LMOD_REF_COUNT_MODULEPATH;' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core;' export 'MODULEPATH;' 'MPI_BIN=/usr/lib64/mpich/bin;' export 'MPI_BIN;' 'MPI_COMPILER=mpich-ppc64le;' export 'MPI_COMPILER;' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich;' export 'MPI_FORTRAN_MOD_DIR;' 'MPI_HOME=/usr/lib64/mpich;' export 'MPI_HOME;' 'MPI_INCLUDE=/usr/include/mpich-ppc64le;' export 'MPI_INCLUDE;' 'MPI_LIB=/usr/lib64/mpich/lib;' export 'MPI_LIB;' 'MPI_MAN=/usr/share/man/mpich-ppc64le;' export 'MPI_MAN;' 'MPI_PYTHON2_SITEARCH=/usr/lib64/python2.7/site-packages/mpich;' export 'MPI_PYTHON2_SITEARCH;' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.7/site-packages/mpich;' export 'MPI_PYTHON3_SITEARCH;' 'MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/mpich;' export 'MPI_PYTHON_SITEARCH;' 'MPI_SUFFIX=_mpich;' export 'MPI_SUFFIX;' 'MPI_SYSCONFIG=/etc/mpich-ppc64le;' export 'MPI_SYSCONFIG;' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1\;/builddir/.local/bin:1\;/builddir/bin:1\;/usr/bin:1\;/bin:1\;/usr/sbin:1\;/sbin:1\;/usr/local/sbin:1;' export '__LMOD_REF_COUNT_PATH;' 'PATH=/usr/lib64/mpich/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin;' export 'PATH;' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1\;/usr/lib64/pkgconfig:1\;/usr/share/pkgconfig:1;' export '__LMOD_REF_COUNT_PKG_CONFIG_PATH;' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig::/usr/lib64/pkgconfig:/usr/share/pkgconfig;' export 'PKG_CONFIG_PATH;' '__LMOD_REF_COUNT__LMFILES_=/etc/modulefiles/mpi/mpich-ppc64le:1;' export '__LMOD_REF_COUNT__LMFILES_;' '_LMFILES_=/etc/modulefiles/mpi/mpich-ppc64le;' export '_LMFILES_;' '_ModuleTable001_=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;' export '_ModuleTable001_;' '_ModuleTable002_=aWxlcy9Db3JlIiwiL3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfSxbInN5c3RlbUJhc2VNUEFUSCJdPSIvZXRjL21vZHVsZWZpbGVzOi91c3Ivc2hhcmUvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlcy9MaW51eDovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0NvcmU6L3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfQ==;' export '_ModuleTable002_;' '_ModuleTable_Sz_=2;' export '_ModuleTable_Sz_;' BUILDSTDERR: ++ __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT_LD_LIBRARY_PATH BUILDSTDERR: ++ LD_LIBRARY_PATH=/usr/lib64/mpich/lib BUILDSTDERR: ++ export LD_LIBRARY_PATH BUILDSTDERR: ++ __LMOD_REF_COUNT_LOADEDMODULES=mpi/mpich-ppc64le:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT_LOADEDMODULES BUILDSTDERR: ++ LOADEDMODULES=mpi/mpich-ppc64le BUILDSTDERR: ++ export LOADEDMODULES BUILDSTDERR: ++ __LMOD_REF_COUNT_MANPATH='/usr/share/man/mpich-ppc64le:1;/usr/share/lmod/lmod/share/man:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_MANPATH BUILDSTDERR: ++ MANPATH=:/usr/share/man/mpich-ppc64le:/usr/share/lmod/lmod/share/man BUILDSTDERR: ++ export MANPATH BUILDSTDERR: ++ __LMOD_REF_COUNT_MODULEPATH='/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_MODULEPATH BUILDSTDERR: ++ MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core BUILDSTDERR: ++ export MODULEPATH BUILDSTDERR: ++ MPI_BIN=/usr/lib64/mpich/bin BUILDSTDERR: ++ export MPI_BIN BUILDSTDERR: ++ MPI_COMPILER=mpich-ppc64le BUILDSTDERR: ++ export MPI_COMPILER BUILDSTDERR: ++ MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich BUILDSTDERR: ++ export MPI_FORTRAN_MOD_DIR BUILDSTDERR: ++ MPI_HOME=/usr/lib64/mpich BUILDSTDERR: ++ export MPI_HOME BUILDSTDERR: ++ MPI_INCLUDE=/usr/include/mpich-ppc64le BUILDSTDERR: ++ export MPI_INCLUDE BUILDSTDERR: ++ MPI_LIB=/usr/lib64/mpich/lib BUILDSTDERR: ++ export MPI_LIB BUILDSTDERR: ++ MPI_MAN=/usr/share/man/mpich-ppc64le BUILDSTDERR: ++ export MPI_MAN BUILDSTDERR: ++ MPI_PYTHON2_SITEARCH=/usr/lib64/python2.7/site-packages/mpich BUILDSTDERR: ++ export MPI_PYTHON2_SITEARCH BUILDSTDERR: ++ MPI_PYTHON3_SITEARCH=/usr/lib64/python3.7/site-packages/mpich BUILDSTDERR: ++ export MPI_PYTHON3_SITEARCH BUILDSTDERR: ++ MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/mpich BUILDSTDERR: ++ export MPI_PYTHON_SITEARCH BUILDSTDERR: ++ MPI_SUFFIX=_mpich BUILDSTDERR: ++ export MPI_SUFFIX BUILDSTDERR: ++ MPI_SYSCONFIG=/etc/mpich-ppc64le BUILDSTDERR: ++ export MPI_SYSCONFIG BUILDSTDERR: ++ __LMOD_REF_COUNT_PATH='/usr/lib64/mpich/bin:1;/builddir/.local/bin:1;/builddir/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PATH BUILDSTDERR: ++ PATH=/usr/lib64/mpich/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin BUILDSTDERR: ++ export PATH BUILDSTDERR: ++ __LMOD_REF_COUNT_PKG_CONFIG_PATH='/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PKG_CONFIG_PATH BUILDSTDERR: ++ PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig::/usr/lib64/pkgconfig:/usr/share/pkgconfig BUILDSTDERR: ++ export PKG_CONFIG_PATH BUILDSTDERR: ++ __LMOD_REF_COUNT__LMFILES_=/etc/modulefiles/mpi/mpich-ppc64le:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT__LMFILES_ BUILDSTDERR: ++ _LMFILES_=/etc/modulefiles/mpi/mpich-ppc64le BUILDSTDERR: ++ export _LMFILES_ BUILDSTDERR: ++ _ModuleTable001_=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 BUILDSTDERR: ++ export _ModuleTable001_ BUILDSTDERR: ++ _ModuleTable002_=aWxlcy9Db3JlIiwiL3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfSxbInN5c3RlbUJhc2VNUEFUSCJdPSIvZXRjL21vZHVsZWZpbGVzOi91c3Ivc2hhcmUvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlcy9MaW51eDovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0NvcmU6L3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfQ== BUILDSTDERR: ++ export _ModuleTable002_ BUILDSTDERR: ++ _ModuleTable_Sz_=2 BUILDSTDERR: ++ export _ModuleTable_Sz_ ~/build/BUILD/openmx3.8/mpich ~/build/BUILD/openmx3.8 BUILDSTDERR: ++ : -s sh + eval + pushd mpich + CFLAGS='-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source' + FCFLAGS='-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I/usr/lib64/gfortran/modules/mpich -I/usr/lib64/gfortran/modules/mpich' + LIBS='-lfftw3 -lopenblas -lgfortran' + case $MPI_SUFFIX in + LIBMPI=-lmpich + '[' -r /usr/lib64/mpich/lib/libmpifort.so ']' + LIBMPI='-lmpich -lmpifort' + make 'CC=mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source' 'FC=mpif90 -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I/usr/lib64/gfortran/modules/mpich -I/usr/lib64/gfortran/modules/mpich -I/usr/lib64/gfortran/modules/mpich' 'LIB=-lfftw3 -lopenblas -lgfortran -L/usr/lib64/mpich/lib -lmpich -lmpifort' openmx DosMain jx analysis_example esp OpticalConductivityMain polB test_mpi -j2 mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c openmx.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c openmx_common.c BUILDSTDERR: openmx_common.c: In function 'fnjoint': BUILDSTDERR: openmx_common.c:358:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f1++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:359:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f4++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:364:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f2++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:365:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f4++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:370:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f3++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:371:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f4++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c: In function 'fnjoint2': BUILDSTDERR: openmx_common.c:388:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f1++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:389:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f4++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:394:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f2++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:395:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f4++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:400:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f3++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:401:7: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f4++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c: In function 'chcp': BUILDSTDERR: openmx_common.c:418:5: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f1++; BUILDSTDERR: ^~~~~ BUILDSTDERR: openmx_common.c:419:5: warning: value computed is not used [-Wunused-value] BUILDSTDERR: *f2++; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from openmx_common.c:19: BUILDSTDERR: openmx_common.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: openmx.c: In function 'main': BUILDSTDERR: openmx.c:637:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid==Host_ID) printf("Calling Generate_Wannier...\n");fflush(0); BUILDSTDERR: ^~ BUILDSTDERR: openmx.c:637:64: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid==Host_ID) printf("Calling Generate_Wannier...\n");fflush(0); BUILDSTDERR: ^~~~~~ BUILDSTDERR: In file included from openmx.c:67: BUILDSTDERR: openmx.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from openmx.c:67: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from openmx.c:67: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: In file included from openmx_common.c:19: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from openmx_common.c:19: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx.c: In function 'main': BUILDSTDERR: openmx.c:450:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileMemory,"%s%s.memory%i",filepath,filename,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from openmx.c:57: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1017 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Input_std.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Inputtools.c BUILDSTDERR: Input_std.c: In function 'Input_std': BUILDSTDERR: Input_std.c:206:7: warning: suggest parentheses around assignment used as truth value [-Wparentheses] BUILDSTDERR: if (fp=input_find("FermiEps || (cal_partial_charge && (FermiEps calculate Voronoi charges\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:52:80: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid==Host_ID) printf("\n calculate Voronoi charges\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Charge.c:46:20: warning: variable 'Nprocs' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int OMPID,Nthrds,Nprocs; BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Charge.c:43:15: warning: unused variable 'request' [-Wunused-variable] BUILDSTDERR: MPI_Request request; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: Voronoi_Charge.c:42:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Charge.c:40:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: Voronoi_Charge.c:37:21: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,tag=999,ID; BUILDSTDERR: ^~~ BUILDSTDERR: Voronoi_Charge.c:26:25: warning: unused variable 'fw' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:26:22: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:26:19: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:26:16: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:25:24: warning: unused variable 'Nh' [-Wunused-variable] BUILDSTDERR: int Cwan,GNc,GRc,Nog,Nh,MN,spin; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:25:7: warning: variable 'Cwan' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int Cwan,GNc,GRc,Nog,Nh,MN,spin; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Charge.c:24:30: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: Voronoi_Charge.c:24:25: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Charge.c:24:19: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: Voronoi_Charge.c:23:10: warning: variable 'time0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from Voronoi_Charge.c:16: BUILDSTDERR: Voronoi_Charge.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Voronoi_Charge.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Voronoi_Charge.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Voronoi_Charge.c: In function 'Voronoi_Charge': BUILDSTDERR: Voronoi_Charge.c:221:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_VC,"%s%s.VC",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from Voronoi_Charge.c:12: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 4 and 1002 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Voronoi_Orbital_Moment.c BUILDSTDERR: Voronoi_Orbital_Moment.c: In function 'Voronoi_Orbital_Moment': BUILDSTDERR: Voronoi_Orbital_Moment.c:59:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid==Host_ID) printf("\n calculate Voronoi orbital moment\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Orbital_Moment.c:59:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid==Host_ID) printf("\n calculate Voronoi orbital moment\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:38:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:37:8: warning: unused variable 'file_VOM' [-Wunused-variable] BUILDSTDERR: char file_VOM[YOUSO10]; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:36:9: warning: unused variable 'fp_VOM' [-Wunused-variable] BUILDSTDERR: FILE *fp_VOM; BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:34:19: warning: variable 'MR_AN' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int hR_AN,hL_AN,MR_AN,ML_AN,kl,m,GL_AN,GR_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c: In function 'Orbitals_on_Grid': BUILDSTDERR: Voronoi_Orbital_Moment.c:686:32: warning: variable 'Rmin' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double siQ,coQ,siP,coP,Q,P,R,Rmin; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:683:20: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int i,L0,Mul0,M0,i1,L; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Orbital_Moment.c:683:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,L0,Mul0,M0,i1,L; BUILDSTDERR: ^ BUILDSTDERR: In file included from Voronoi_Orbital_Moment.c:18: BUILDSTDERR: Voronoi_Orbital_Moment.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Voronoi_Orbital_Moment.c:18: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Voronoi_Orbital_Moment.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Set_ProExpn_VNA.c: In function 'Set_VNA2._omp_fn.4': BUILDSTDERR: Set_ProExpn_VNA.c:2866:14: warning: 'vsbi' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: tsb[n+1] = vsbi; BUILDSTDERR: ~~~~~~~~~^~~~~~ BUILDSTDERR: Set_ProExpn_VNA.c:2815:30: note: 'vsbi' was declared here BUILDSTDERR: double invx,vsb0,vsb1,vsb2,vsbi; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c: In function 'Voronoi_Orbital_Moment': BUILDSTDERR: Voronoi_Orbital_Moment.c:379:2: warning: 'tmp_array' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(tmp_array); /* freeing of array */ BUILDSTDERR: ^~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Fuzzy_Weight.c BUILDSTDERR: Fuzzy_Weight.c: In function 'Fuzzy_Weight': BUILDSTDERR: Fuzzy_Weight.c:28:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,p_AN,Gp_AN,Gs_AN,s_AN,Rnp,Rns; BUILDSTDERR: ^ BUILDSTDERR: Fuzzy_Weight.c:28:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,p_AN,Gp_AN,Gs_AN,s_AN,Rnp,Rns; BUILDSTDERR: ^ BUILDSTDERR: Fuzzy_Weight.c: In function 'Smear': BUILDSTDERR: Fuzzy_Weight.c:98:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: Fuzzy_Weight.c:98:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from Fuzzy_Weight.c:17: BUILDSTDERR: Fuzzy_Weight.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Fuzzy_Weight.c:17: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Fuzzy_Weight.c:17: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c dampingF.c BUILDSTDERR: dampingF.c: In function 'dampingF': BUILDSTDERR: dampingF.c:23:16: warning: variable 'c2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: dampingF.c:23:13: warning: variable 'c1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: dampingF.c:23:10: warning: variable 'c0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: dampingF.c:22:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: dampingF.c:22:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: dampingF.c:22:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from dampingF.c:16: BUILDSTDERR: dampingF.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from dampingF.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from dampingF.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c deri_dampingF.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Spherical_Bessel.c BUILDSTDERR: deri_dampingF.c: In function 'deri_dampingF': BUILDSTDERR: deri_dampingF.c:26:22: warning: variable 'r5' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double r0,r2,r3,r4,r5,f; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:24:16: warning: variable 'c2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:24:13: warning: variable 'c1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:24:10: warning: variable 'c0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:23:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: deri_dampingF.c:23:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: deri_dampingF.c:23:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from deri_dampingF.c:17: BUILDSTDERR: deri_dampingF.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from deri_dampingF.c:17: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from deri_dampingF.c:17: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Spherical_Bessel.c: In function 'Spherical_Bessel': BUILDSTDERR: Spherical_Bessel.c:27:40: warning: variable 'ix2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double j0,j1,j0p,j1p,sf,tmp,si,co,ix,ix2; BUILDSTDERR: ^~~ BUILDSTDERR: Spherical_Bessel.c:27:20: warning: unused variable 'j1p' [-Wunused-variable] BUILDSTDERR: double j0,j1,j0p,j1p,sf,tmp,si,co,ix,ix2; BUILDSTDERR: ^~~ BUILDSTDERR: Spherical_Bessel.c:27:16: warning: unused variable 'j0p' [-Wunused-variable] BUILDSTDERR: double j0,j1,j0p,j1p,sf,tmp,si,co,ix,ix2; BUILDSTDERR: ^~~ BUILDSTDERR: Spherical_Bessel.c:24:16: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int m,n,nmax,p; BUILDSTDERR: ^ BUILDSTDERR: In file included from Spherical_Bessel.c:16: BUILDSTDERR: At top level: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Spherical_Bessel.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c iterout.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c iterout_md.c BUILDSTDERR: iterout.c: In function 'iterout': BUILDSTDERR: iterout.c:26:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: iterout.c:21:43: warning: unused variable 'zido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout.c:21:38: warning: unused variable 'yido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout.c:21:33: warning: unused variable 'xido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout.c:21:30: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:27: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:24: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:21: warning: unused variable 'aa' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:13: warning: unused variable 'itermax' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: iterout.c:21:10: warning: unused variable 'dt' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: In file included from iterout.c:16: BUILDSTDERR: iterout.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from iterout.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from iterout.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: iterout.c: In function 'iterout': BUILDSTDERR: iterout.c:170:23: warning: '__builtin___sprintf_chk' may write a terminating nul past the end of the destination [-Wformat-overflow=] BUILDSTDERR: sprintf(fileXYZ,"%s2",fileSDRC); BUILDSTDERR: ^ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from iterout.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 501 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: iterout_md.c: In function 'iterout_md': BUILDSTDERR: iterout_md.c:21:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: iterout_md.c:19:43: warning: unused variable 'zido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout_md.c:19:38: warning: unused variable 'yido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout_md.c:19:33: warning: unused variable 'xido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout_md.c:19:30: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:27: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:24: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:21: warning: unused variable 'aa' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:13: warning: unused variable 'itermax' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: iterout_md.c:19:10: warning: unused variable 'dt' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:18:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: iterout_md.c:18:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: iterout_md.c:18:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from iterout_md.c:14: BUILDSTDERR: iterout_md.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from iterout_md.c:14: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from iterout_md.c:14: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: iterout_md.c: In function 'iterout_md': BUILDSTDERR: iterout_md.c:73:26: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileEvsLC,"%s%s.EvsLC",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from iterout_md.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 7 and 1005 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: iterout_md.c:99:26: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileEvsLC,"%s%s.DF",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from iterout_md.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 4 and 1002 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Allocate_Arrays.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Free_Arrays.c BUILDSTDERR: Allocate_Arrays.c: In function 'Allocate_Arrays': BUILDSTDERR: Allocate_Arrays.c:8:32: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,L,ct_AN,wan,p,l,al,so,spin; BUILDSTDERR: ^~ BUILDSTDERR: Allocate_Arrays.c:8:24: warning: unused variable 'wan' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,L,ct_AN,wan,p,l,al,so,spin; BUILDSTDERR: ^~~ BUILDSTDERR: Allocate_Arrays.c:8:13: warning: unused variable 'ii' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,L,ct_AN,wan,p,l,al,so,spin; BUILDSTDERR: ^~ BUILDSTDERR: In file included from Allocate_Arrays.c:4: BUILDSTDERR: Allocate_Arrays.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Allocate_Arrays.c:4: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Allocate_Arrays.c:4: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Free_Arrays.c: In function 'array0': BUILDSTDERR: Free_Arrays.c:28:20: warning: unused variable 'NUM' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:28:14: warning: unused variable 'vsize' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:28:12: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^ BUILDSTDERR: Free_Arrays.c:28:7: warning: unused variable 'Anum' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^~~~ BUILDSTDERR: Free_Arrays.c:27:39: warning: variable 'NO1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int num,n2,wanA,wanB,Gi,MAnum,Mh_AN,NO1; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:27:33: warning: variable 'Mh_AN' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int num,n2,wanA,wanB,Gi,MAnum,Mh_AN,NO1; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:27:27: warning: unused variable 'MAnum' [-Wunused-variable] BUILDSTDERR: int num,n2,wanA,wanB,Gi,MAnum,Mh_AN,NO1; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:26:35: warning: unused variable 'nc' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~ BUILDSTDERR: Free_Arrays.c:26:32: warning: unused variable 'ns' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~ BUILDSTDERR: Free_Arrays.c:26:28: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:26:18: warning: unused variable 'Qwan' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~~ BUILDSTDERR: Free_Arrays.c:26:12: warning: unused variable 'Gq_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:26:7: warning: unused variable 'q_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~~ BUILDSTDERR: Free_Arrays.c:24:37: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,l,L,n,ct_AN,h_AN,wan,al,tno,Cwan,Nc; BUILDSTDERR: ^~ BUILDSTDERR: Free_Arrays.c:24:33: warning: variable 'wan' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i,j,k,ii,l,L,n,ct_AN,h_AN,wan,al,tno,Cwan,Nc; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:24:13: warning: unused variable 'ii' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,l,L,n,ct_AN,h_AN,wan,al,tno,Cwan,Nc; BUILDSTDERR: ^~ BUILDSTDERR: In file included from Free_Arrays.c:4: BUILDSTDERR: Free_Arrays.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Free_Arrays.c:4: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Free_Arrays.c:4: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Init_List_YOUSO.c BUILDSTDERR: In file included from Init_List_YOUSO.c:3: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Init_List_YOUSO.c:3: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Init_List_YOUSO.c:3: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c outputfile1.c BUILDSTDERR: outputfile1.c: In function 'outputfile1': BUILDSTDERR: outputfile1.c:14:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: In file included from outputfile1.c:5: BUILDSTDERR: outputfile1.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from outputfile1.c:5: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from outputfile1.c:5: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c malloc_multidimarray.c BUILDSTDERR: In file included from malloc_multidimarray.c:5: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from malloc_multidimarray.c:5: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from malloc_multidimarray.c:5: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c PrintMemory.c BUILDSTDERR: In file included from PrintMemory.c:16: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from PrintMemory.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from PrintMemory.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c PrintMemory_Fix.c BUILDSTDERR: In file included from PrintMemory_Fix.c:16: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from PrintMemory_Fix.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from PrintMemory_Fix.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c dtime.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c OutData.c BUILDSTDERR: OutData.c: In function 'OutData': BUILDSTDERR: OutData.c:66:8: warning: unused variable 'buf2' [-Wunused-variable] BUILDSTDERR: char buf2[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:65:8: warning: unused variable 'buf1' [-Wunused-variable] BUILDSTDERR: char buf1[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:64:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:63:14: warning: unused variable 'fp2' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:63:9: warning: unused variable 'fp1' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:62:8: warning: unused variable 'fname2' [-Wunused-variable] BUILDSTDERR: char fname2[300]; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:61:8: warning: unused variable 'fname1' [-Wunused-variable] BUILDSTDERR: char fname1[300]; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:59:11: warning: unused variable 'fd' [-Wunused-variable] BUILDSTDERR: int i,c,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:59:9: warning: unused variable 'c' [-Wunused-variable] BUILDSTDERR: int i,c,fd; BUILDSTDERR: ^ BUILDSTDERR: OutData.c: In function 'out_density': BUILDSTDERR: OutData.c:216:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:204:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:202:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:202:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:202:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:200:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:200:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Vhart': BUILDSTDERR: OutData.c:449:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:445:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:445:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:445:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:445:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_Vna': BUILDSTDERR: OutData.c:482:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:478:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:478:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:478:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:478:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_Vxc': BUILDSTDERR: OutData.c:512:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:512:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_Veff': BUILDSTDERR: OutData.c:679:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:679:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_grid': BUILDSTDERR: OutData.c:846:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c: In function 'out_atomxyz': BUILDSTDERR: OutData.c:898:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:894:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_atomxsf': BUILDSTDERR: OutData.c:943:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:939:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:939:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_coordinates_bulk': BUILDSTDERR: OutData.c:996:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData.c:1061:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Cluster_NBO': BUILDSTDERR: OutData.c:1248:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1246:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1234:35: warning: unused variable 'so' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:32: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:29: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:26: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:20: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1233:36: warning: unused variable 'num' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Cwan,NO0,spin,Nc,num,tnum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Cluster_NC_MO': BUILDSTDERR: OutData.c:1656:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1654:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1649:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1649:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1649:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1649:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Bulk_MO': BUILDSTDERR: OutData.c:1876:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:30: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:27: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:24: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:22: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:1867:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1866:28: warning: unused variable 'Nh' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1866:24: warning: unused variable 'RnG' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1866:20: warning: unused variable 'Nog' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1866:7: warning: unused variable 'NO1' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1865:34: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:1865:30: warning: unused variable 'Rnh' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1865:24: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:1865:19: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:1865:13: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'Print_CubeData': BUILDSTDERR: OutData.c:2203:14: warning: unused variable 'fp2' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:2203:9: warning: unused variable 'fp1' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:2202:35: warning: unused variable 'operate2' [-Wunused-variable] BUILDSTDERR: char operate[300],operate1[300],operate2[300]; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:2202:21: warning: unused variable 'operate1' [-Wunused-variable] BUILDSTDERR: char operate[300],operate1[300],operate2[300]; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:2201:40: warning: unused variable 'c' [-Wunused-variable] BUILDSTDERR: int fd,myid,numprocs,ID,BN_AB,n3,cmd,c; BUILDSTDERR: ^ BUILDSTDERR: OutData.c: In function 'Print_VectorData': BUILDSTDERR: OutData.c:2331:15: warning: unused variable 'request' [-Wunused-variable] BUILDSTDERR: MPI_Request request; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData.c:2330:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:2322:22: warning: unused variable 'c' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:2322:19: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:2322:16: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:2322:13: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c: In function 'out_Partial_Charge_Density': BUILDSTDERR: OutData.c:3128:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3122:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3121:25: warning: unused variable 'oden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3121:20: warning: unused variable 'sden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3121:14: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3121:10: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3120:22: warning: unused variable 'vz' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3120:19: warning: unused variable 'vy' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3120:16: warning: unused variable 'vx' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3120:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3120:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3120:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3118:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'Set_Partial_Density_Grid': BUILDSTDERR: OutData.c:3246:20: warning: variable 'Nprocs' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int OMPID,Nthrds,Nprocs; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3230:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3230:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3229:16: warning: unused variable 'Cxyz' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3229:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3229:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3229:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3228:34: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3228:30: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3228:25: warning: unused variable 'Im12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3228:20: warning: unused variable 'Re12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3228:15: warning: unused variable 'Re22' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3228:10: warning: unused variable 'Re11' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3227:31: warning: unused variable 'cot' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:27: warning: unused variable 'sit' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:23: warning: unused variable 'sip' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:19: warning: unused variable 'cop' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:16: warning: unused variable 'd3' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3227:13: warning: unused variable 'd2' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3227:10: warning: unused variable 'd1' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3223:32: warning: unused variable 'tot_den' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData.c:3223:28: warning: unused variable 'sk3' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3223:24: warning: unused variable 'sk2' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3223:20: warning: unused variable 'sk1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3223:15: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3222:26: warning: unused variable 'GNc' [-Wunused-variable] BUILDSTDERR: unsigned long long int GNc,GN; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3219:18: warning: variable 'Rnh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int h_AN,Gh_AN,Rnh,spin,Nc,GRc,Nh,Nog; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3218:10: warning: unused variable 'time0' [-Wunused-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3217:23: warning: unused variable 'top_num' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData.c:3217:16: warning: unused variable 'My_Max' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3217:7: warning: unused variable 'Max_Size' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:3216:36: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3216:34: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3216:23: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3216:20: warning: unused variable 'Rn' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:22: warning: unused variable 'k3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:19: warning: unused variable 'k2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:16: warning: unused variable 'k1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:13: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:10: warning: unused variable 'n2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:7: warning: unused variable 'n1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3214:25: warning: unused variable 'MN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,Mc_AN,Mh_AN,MN; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3213:29: warning: unused variable 'size2' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3213:23: warning: unused variable 'size1' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3213:21: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3213:18: warning: unused variable 'M0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3213:13: warning: unused variable 'Mul0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3213:10: warning: unused variable 'L0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3213:7: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: In file included from OutData.c:23: BUILDSTDERR: OutData.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'OutData': BUILDSTDERR: OutData.c:173:9: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:185:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'Print_CubeData': BUILDSTDERR: OutData.c:2262:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2268:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'Print_VectorData': BUILDSTDERR: OutData.c:2433:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2439:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: At top level: BUILDSTDERR: OutData.c:937:13: warning: 'out_atomxsf' defined but not used [-Wunused-function] BUILDSTDERR: static void out_atomxsf() BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: In file included from OutData.c:23: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from OutData.c:23: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'Print_CubeData': BUILDSTDERR: OutData.c:2260:26: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s0 > %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,filepath,filename,fext); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 9 or more bytes (assuming 2005) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2265:28: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,ID, BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2265:23: note: directive argument in the range [1, 2147483647] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 10 or more bytes (assuming 2015) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2309:24: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:2309:23: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 2 or more bytes (assuming 1009) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'out_density': BUILDSTDERR: OutData.c:232:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file11,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:254:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:283:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:298:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file3,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:313:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file4,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:333:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file10,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2431:26: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s0 > %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,filepath,filename,fext); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 3003 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2436:28: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,ID, BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2436:23: note: directive argument in the range [1, 2147483647] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 3013 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2444:24: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:2444:23: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1508 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:350:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file9); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:394:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file12); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'out_OrbOpt': BUILDSTDERR: OutData.c:2489:21: warning: '/PAO/' directive writing 5 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(DirPAO,"%s/PAO/",DFT_DATA_PATH); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 505 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2833:30: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s_%i%s",filepath,SpeName[wan],Gc_AN,ExtPAO); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 3 or more bytes (assuming 1001) into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c OutData_Binary.c BUILDSTDERR: OutData_Binary.c: In function 'OutData_Binary': BUILDSTDERR: OutData_Binary.c:59:8: warning: unused variable 'buf2' [-Wunused-variable] BUILDSTDERR: char buf2[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:58:8: warning: unused variable 'buf1' [-Wunused-variable] BUILDSTDERR: char buf1[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:57:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_density': BUILDSTDERR: OutData_Binary.c:202:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:201:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:190:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:188:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:188:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:188:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:186:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:186:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Vhart': BUILDSTDERR: OutData_Binary.c:462:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:461:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:457:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:457:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:457:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:457:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:457:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Vna': BUILDSTDERR: OutData_Binary.c:501:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:500:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:496:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:496:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:496:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:496:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:496:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Vxc': BUILDSTDERR: OutData_Binary.c:544:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:536:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:536:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Veff': BUILDSTDERR: OutData_Binary.c:723:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:714:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:714:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_grid': BUILDSTDERR: OutData_Binary.c:894:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:891:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:889:7: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int N,n1,n2,n3,i; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c: In function 'out_atomxyz': BUILDSTDERR: OutData_Binary.c:964:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:962:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:960:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:960:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_atomxsf': BUILDSTDERR: OutData_Binary.c:1008:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1006:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1004:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:1004:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1004:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_coordinates_bulk': BUILDSTDERR: OutData_Binary.c:1060:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1058:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData_Binary.c:1125:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1123:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1119:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1119:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1119:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1119:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_NC_MO': BUILDSTDERR: OutData_Binary.c:1304:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1302:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1298:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1298:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1298:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1298:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Bulk_MO': BUILDSTDERR: OutData_Binary.c:1511:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1509:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1502:30: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1502:27: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1502:24: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1502:22: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:1502:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1501:28: warning: unused variable 'Nh' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1501:24: warning: unused variable 'RnG' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1501:20: warning: unused variable 'Nog' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1501:7: warning: unused variable 'NO1' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1500:34: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:1500:30: warning: unused variable 'Rnh' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1500:24: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:1500:19: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:1500:13: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Print_CubeData': BUILDSTDERR: OutData_Binary.c:1860:3: warning: implicit declaration of function 'fsync' [-Wimplicit-function-declaration] BUILDSTDERR: fsync(fd); BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:1809:33: warning: unused variable 'cmd' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID,BN_AB,n3,cmd,digit,fd,c; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1809:30: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID,BN_AB,n3,cmd,digit,fd,c; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c: In function 'Print_VectorData': BUILDSTDERR: OutData_Binary.c:1936:15: warning: unused variable 'request' [-Wunused-variable] BUILDSTDERR: MPI_Request request; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c:1935:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:1923:19: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,n,c,GridNum; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1923:16: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,n,c,GridNum; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1923:13: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,n,c,GridNum; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c: In function 'out_Partial_Charge_Density': BUILDSTDERR: OutData_Binary.c:2692:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2691:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2685:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2684:25: warning: unused variable 'oden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2684:20: warning: unused variable 'sden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2684:14: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2684:10: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2683:22: warning: unused variable 'vz' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2683:19: warning: unused variable 'vy' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2683:16: warning: unused variable 'vx' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2683:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2683:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2683:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2681:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Set_Partial_Density_Grid': BUILDSTDERR: OutData_Binary.c:2823:20: warning: variable 'Nprocs' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int OMPID,Nthrds,Nprocs; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2807:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2807:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2806:16: warning: unused variable 'Cxyz' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2806:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2806:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2806:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2805:34: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2805:30: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2805:25: warning: unused variable 'Im12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2805:20: warning: unused variable 'Re12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2805:15: warning: unused variable 'Re22' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2805:10: warning: unused variable 'Re11' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2804:31: warning: unused variable 'cot' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:27: warning: unused variable 'sit' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:23: warning: unused variable 'sip' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:19: warning: unused variable 'cop' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:16: warning: unused variable 'd3' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2804:13: warning: unused variable 'd2' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2804:10: warning: unused variable 'd1' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2800:32: warning: unused variable 'tot_den' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c:2800:28: warning: unused variable 'sk3' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2800:24: warning: unused variable 'sk2' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2800:20: warning: unused variable 'sk1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2800:15: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2799:26: warning: unused variable 'GNc' [-Wunused-variable] BUILDSTDERR: unsigned long long int GNc,GN; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2796:18: warning: variable 'Rnh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int h_AN,Gh_AN,Rnh,spin,Nc,GRc,Nh,Nog; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2795:10: warning: unused variable 'time0' [-Wunused-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2794:23: warning: unused variable 'top_num' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c:2794:16: warning: unused variable 'My_Max' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2794:7: warning: unused variable 'Max_Size' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData_Binary.c:2793:36: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2793:34: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2793:23: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2793:20: warning: unused variable 'Rn' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:22: warning: unused variable 'k3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:19: warning: unused variable 'k2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:16: warning: unused variable 'k1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:13: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:10: warning: unused variable 'n2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:7: warning: unused variable 'n1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2791:25: warning: unused variable 'MN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,Mc_AN,Mh_AN,MN; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2790:29: warning: unused variable 'size2' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2790:23: warning: unused variable 'size1' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2790:21: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2790:18: warning: unused variable 'M0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2790:13: warning: unused variable 'Mul0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2790:10: warning: unused variable 'L0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2790:7: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: In file included from OutData_Binary.c:20: BUILDSTDERR: OutData_Binary.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'OutData_Binary': BUILDSTDERR: OutData_Binary.c:130:4: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:133:4: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:137:2: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Print_CubeData': BUILDSTDERR: OutData_Binary.c:1875:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1912:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Print_VectorData': BUILDSTDERR: OutData_Binary.c:2061:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2097:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: At top level: BUILDSTDERR: OutData_Binary.c:2637:13: warning: 'Print_CubeData_MO' defined but not used [-Wunused-function] BUILDSTDERR: static void Print_CubeData_MO(FILE *fp, double *data, double *data1,char *op) BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1002:13: warning: 'out_atomxsf' defined but not used [-Wunused-function] BUILDSTDERR: static void out_atomxsf() BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: In file included from OutData_Binary.c:20: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from OutData_Binary.c:20: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'out_Cluster_NBO': BUILDSTDERR: OutData.c:1441:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.NHO%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1441:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.NHO%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1441:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 13 and 1029 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1519:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.NBO-b%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1519:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.NBO-b%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1519:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 15 and 1031 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1592:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.NBO-a%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1592:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.NBO-a%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1592:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 15 and 1031 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1236:24: warning: 'MO_Grid_tmp2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: double *MO_Grid_tmp,*MO_Grid_tmp2; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: OutData.c:1532:15: warning: 'SCell_Atom' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: Print_CubeTitle2(fp,SCell_GridN_A,SCell_GridN_B,SCell_GridN_C, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCell_Origin,TNumAtom_SCell,SCell_Atom); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1243:41: warning: 'GridList_L2SCell' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int TNumGrid_SCell,SCell_Grid_Origin,*GridList_L2SCell,*SCell_Atom; BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1243:7: warning: 'TNumGrid_SCell' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int TNumGrid_SCell,SCell_Grid_Origin,*GridList_L2SCell,*SCell_Atom; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1532:15: warning: 'TNumAtom_SCell' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: Print_CubeTitle2(fp,SCell_GridN_A,SCell_GridN_B,SCell_GridN_C, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCell_Origin,TNumAtom_SCell,SCell_Atom); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1456:15: warning: 'SCell_GridN_C' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: Print_CubeData_MO2(fp,MO_Grid,NULL,NULL,SCell_GridN_A,SCell_GridN_B,SCell_GridN_C); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1456:15: warning: 'SCell_GridN_B' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: OutData.c:1456:15: warning: 'SCell_GridN_A' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: OutData_Binary.c: In function 'Print_CubeData': BUILDSTDERR: OutData_Binary.c:1883:25: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 1 or more bytes (assuming 999) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1894:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 1 or more bytes (assuming 999) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1898:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1898:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 3 or more bytes (assuming 2147484647) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1911:25: warning: '%s' directive writing up to 499 bytes into a region of size 297 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"rm %s%s%s_*",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 6 or more bytes (assuming 1004) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData.c:1126:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1126:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1126:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1032 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1124:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1124:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1124:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1032 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1194:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1194:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1194:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1032 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_OrbOpt': BUILDSTDERR: OutData_Binary.c:2137:21: warning: '/PAO/' directive writing 5 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(DirPAO,"%s/PAO/",DFT_DATA_PATH); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 505 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2478:30: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s_%i%s",filepath,SpeName[wan],Gc_AN,ExtPAO); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 3 or more bytes (assuming 1001) into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'OutData': BUILDSTDERR: OutData.c:803:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:819:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:461:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:494:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:636:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:652:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1965:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1965:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1965:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:1965:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1983:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1983:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1983:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:1983:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2070:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2070:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2070:20: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:2070:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2089:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2089:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2089:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:2089:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1722:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1722:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1722:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1740:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1740:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1740:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1804:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1804:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1804:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1822:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1822:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1822:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:3149:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:3178:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:3193:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file3,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:171:32: warning: '%s' directive writing up to 499 bytes into a region of size 496 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s.Dos.vec%i >> tmp1",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:171:27: note: directive argument in the range [1, 2147483647] BUILDSTDERR: sprintf(operate,"cat %s%s.Dos.vec%i >> tmp1",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1029 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:169:32: warning: '%s' directive writing up to 499 bytes into a region of size 496 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s.Dos.vec%i > tmp1",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1020 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:175:28: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:175:25: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 1017 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:184:32: warning: '%s' directive writing up to 499 bytes into a region of size 492 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"mv tmp1 %s%s.Dos.vec",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1015 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:680:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:513:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:1912:5: warning: 'spinmax' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: for (spin=0; spin<=spinmax; spin++){ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1867:33: note: 'spinmax' was declared here BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_NC_MO': BUILDSTDERR: OutData_Binary.c:1362:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1362:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1362:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1380:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1380:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1380:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1439:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1439:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1439:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1458:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1458:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1458:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData_Binary.c:1190:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1190:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1190:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1036 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1188:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1188:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1188:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1036 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1259:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1259:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1259:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1036 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_density': BUILDSTDERR: OutData_Binary.c:219:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file11,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:245:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:278:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:297:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file3,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:316:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file4,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:340:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file10,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2069:25: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2080:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2084:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2084:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2096:25: warning: '%s' directive writing up to 499 bytes into a region of size 297 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"rm %s%s%s_*",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 1503 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:362:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file9); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:406:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file12); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c init_alloc_first.c BUILDSTDERR: In file included from init_alloc_first.c:15: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from init_alloc_first.c:15: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from init_alloc_first.c:15: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c File_CntCoes.c BUILDSTDERR: OutData_Binary.c: In function 'OutData_Binary': BUILDSTDERR: OutData_Binary.c:840:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:860:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:475:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:514:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:663:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:683:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1592:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1592:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1592:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1592:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1611:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1611:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1611:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1611:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1693:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1693:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1693:20: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1693:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1713:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1713:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1713:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1713:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2714:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2747:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2766:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file3,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:145:18: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s%s.Dos.vec",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:155:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s%s.Dos.vec",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:158:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:158:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 1017 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:169:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:169:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 1017 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Input_CntCoes': BUILDSTDERR: File_CntCoes.c:50:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: File_CntCoes.c: In function 'Output_CntCoes': BUILDSTDERR: File_CntCoes.c:112:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: In file included from File_CntCoes.c:18: BUILDSTDERR: File_CntCoes.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Input_CntCoes': BUILDSTDERR: OutData_Binary.c:715:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData_Binary.c:537:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: File_CntCoes.c:74:6: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(tmp0,sizeof(double),List_YOUSO[7]*List_YOUSO[24],fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from File_CntCoes.c:18: BUILDSTDERR: At top level: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from File_CntCoes.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1545:5: warning: 'spinmax' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: for (spin=0; spin<=spinmax; spin++){ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1502:33: note: 'spinmax' was declared here BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Output_CntCoes': BUILDSTDERR: File_CntCoes.c:125:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileCC,"%s%s.ccs%i",filepath,filename,Gc_AN); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from File_CntCoes.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 1014 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Input_CntCoes': BUILDSTDERR: File_CntCoes.c:66:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileCC,"%s%s.ccs%i",filepath,filename,Gc_AN); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from File_CntCoes.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 1014 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c SCF2File.c BUILDSTDERR: SCF2File.c: In function 'SCF2File': BUILDSTDERR: SCF2File.c:42:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:40:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:38:8: warning: unused variable 'operate' [-Wunused-variable] BUILDSTDERR: char operate[300]; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c: In function 'Output': BUILDSTDERR: SCF2File.c:297:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:291:24: warning: unused variable 'Rnq' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:291:18: warning: unused variable 'Gq_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:291:12: warning: unused variable 'Mq_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:291:7: warning: unused variable 'q_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:290:32: warning: unused variable 'Qwan' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:290:28: warning: unused variable 'NO1' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:290:24: warning: unused variable 'NO0' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:290:19: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:290:15: warning: unused variable 'Rnh' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:290:9: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:290:7: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^ BUILDSTDERR: SCF2File.c:288:34: warning: unused variable 'can' [-Wunused-variable] BUILDSTDERR: int Gc_AN,Mc_AN,ct_AN,h_AN,i,j,can,Gh_AN; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c: In function 'Calc_OLPpo': BUILDSTDERR: SCF2File.c:884:29: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,tag=999,ID; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:884:21: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,tag=999,ID; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:883:18: warning: unused variable 'TEtime3' [-Wunused-variable] BUILDSTDERR: double TStime3,TEtime3; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:883:10: warning: unused variable 'TStime3' [-Wunused-variable] BUILDSTDERR: double TStime3,TEtime3; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:882:18: warning: unused variable 'TEtime2' [-Wunused-variable] BUILDSTDERR: double TStime2,TEtime2; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:882:10: warning: unused variable 'TStime2' [-Wunused-variable] BUILDSTDERR: double TStime2,TEtime2; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:881:18: warning: unused variable 'TEtime1' [-Wunused-variable] BUILDSTDERR: double TStime1,TEtime1; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:881:10: warning: unused variable 'TStime1' [-Wunused-variable] BUILDSTDERR: double TStime1,TEtime1; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:880:18: warning: unused variable 'TEtime0' [-Wunused-variable] BUILDSTDERR: double TStime0,TEtime0; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:880:10: warning: unused variable 'TStime0' [-Wunused-variable] BUILDSTDERR: double TStime0,TEtime0; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:879:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: SCF2File.c:879:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: SCF2File.c:867:19: warning: unused variable 'S_coordinate' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: SCF2File.c:867:16: warning: unused variable 'zo' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:867:13: warning: unused variable 'yo' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:867:10: warning: unused variable 'xo' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:866:37: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:866:32: warning: unused variable 'tmp0' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:866:28: warning: unused variable 'sum' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:866:24: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:866:18: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:866:16: warning: unused variable 'r' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^ BUILDSTDERR: SCF2File.c:866:13: warning: unused variable 'dv' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:866:10: warning: unused variable 'bc' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:865:22: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,tmpx,tmpy,tmpz; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:865:19: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,tmpx,tmpy,tmpz; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:865:16: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,tmpx,tmpy,tmpz; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:864:28: warning: unused variable 'XC_P_switch' [-Wunused-variable] BUILDSTDERR: int Nc,GNc,GRc,Nog,Nh,MN,XC_P_switch; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: SCF2File.c:864:25: warning: unused variable 'MN' [-Wunused-variable] BUILDSTDERR: int Nc,GNc,GRc,Nog,Nh,MN,XC_P_switch; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:35: warning: unused variable 'M1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:30: warning: unused variable 'Mul1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:863:27: warning: unused variable 'L1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:24: warning: unused variable 'M0' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:19: warning: unused variable 'Mul0' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:863:16: warning: unused variable 'L0' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:13: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:10: warning: unused variable 'n2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:7: warning: unused variable 'n1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:862:22: warning: unused variable 'NumC' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:862:20: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^ BUILDSTDERR: SCF2File.c:862:15: warning: unused variable 'spin' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:862:11: warning: unused variable 'Rnk' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:862:7: warning: variable 'Rnh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:861:29: warning: unused variable 'spinmax' [-Wunused-variable] BUILDSTDERR: int i,j,Cwan,Hwan,NO0,NO1,spinmax; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:859:10: warning: unused variable 'time0' [-Wunused-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from SCF2File.c:18: BUILDSTDERR: SCF2File.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from SCF2File.c:18: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from SCF2File.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: SCF2File.c: In function 'SCF2File': BUILDSTDERR: SCF2File.c:152:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s.scfout",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from SCF2File.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 8 and 1006 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCF2File.c:836:16: warning: 'count' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: i_vec[0] = count; BUILDSTDERR: ~~~~~~~~~^~~~~~~ BUILDSTDERR: SCF2File.c:289:39: note: 'count' was declared here BUILDSTDERR: int num,wan1,wan2,TNO1,TNO2,spin,Rn,count; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:799:5: warning: 'fp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fwrite(d_vec,sizeof(double),10,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCF2File.c:39:9: note: 'fp' was declared here BUILDSTDERR: FILE *fp; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c mimic_sse.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Make_Comm_Worlds.c BUILDSTDERR: Make_Comm_Worlds.c: In function 'Make_Comm_Worlds': BUILDSTDERR: Make_Comm_Worlds.c:34:17: warning: unused variable 'myid1' [-Wunused-variable] BUILDSTDERR: int numprocs1,myid1; BUILDSTDERR: ^~~~~ BUILDSTDERR: Make_Comm_Worlds.c:34:7: warning: variable 'numprocs1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int numprocs1,myid1; BUILDSTDERR: ^~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Set_Allocate_Atom2CPU.c BUILDSTDERR: Set_Allocate_Atom2CPU.c:46: warning: ignoring #pragma optimization_level [-Wunknown-pragmas] BUILDSTDERR: #pragma optimization_level 1 BUILDSTDERR: BUILDSTDERR: Set_Allocate_Atom2CPU.c: In function 'Allocation_Atoms_3D': BUILDSTDERR: Set_Allocate_Atom2CPU.c:53:27: warning: unused variable 'n0' [-Wunused-variable] BUILDSTDERR: int m,i,j,k,k0,Na,np,ID,n0; BUILDSTDERR: ^~ BUILDSTDERR: Set_Allocate_Atom2CPU.c: At top level: BUILDSTDERR: Set_Allocate_Atom2CPU.c:531: warning: ignoring #pragma optimization_level [-Wunknown-pragmas] BUILDSTDERR: #pragma optimization_level 1 BUILDSTDERR: BUILDSTDERR: In file included from Set_Allocate_Atom2CPU.c:17: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: Set_Allocate_Atom2CPU.c:20:13: warning: 'Output_Atom2CPU' declared 'static' but never defined [-Wunused-function] BUILDSTDERR: static void Output_Atom2CPU(); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Set_Allocate_Atom2CPU.c:17: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Set_Allocate_Atom2CPU.c:17: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Cutoff.c BUILDSTDERR: Set_Allocate_Atom2CPU.c: In function 'Set_Allocate_Atom2CPU': BUILDSTDERR: Set_Allocate_Atom2CPU.c:269:17: warning: 'k0' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: if ( (((k0+1)\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_RestartFile.c:141:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_RestartFile.c:136:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_RestartFile.c:133:13: warning: unused variable 'size' [-Wunused-variable] BUILDSTDERR: int size1,size; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_RestartFile.c:130:18: warning: unused variable 'i2_vec' [-Wunused-variable] BUILDSTDERR: int i_vec[100],i2_vec[2]; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_RestartFile.c: In function 'TRAN_RestartFile': BUILDSTDERR: TRAN_RestartFile.c:525:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_RestartFile.c: In function 'TRAN_Input_HKS': BUILDSTDERR: TRAN_RestartFile.c:156:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(i_vec,sizeof(int),2,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:160:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(i_vec,sizeof(int),12,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:198:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(d_vec,sizeof(double),19+3+3*atomnum_t+1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:243:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(WhatSpecies_t, sizeof(int), atomnum_t+1, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:246:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(Spe_Total_CNO_t, sizeof(int), SpeciesNum_t, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:249:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(Spe_Total_NO_t,sizeof(int),SpeciesNum_t,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:252:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(FNAN_t,sizeof(int),atomnum_t+1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:258:5: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(natn_t[i],sizeof(int),size1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:264:5: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(ncn_t[i],sizeof(int),size1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:284:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(ia_vec,sizeof(int),size1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:331:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(OLP_t[k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:397:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(H_t[k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:437:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(iHNL_t[k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:479:13: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(DM_t[m][k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:488:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(dDen_Grid_t, sizeof(double), N,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:493:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(dVHart_Grid_t,sizeof(double), N,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreen.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Input_std.c BUILDSTDERR: Generate_Wannier.c: In function 'Output_WF_Spread': BUILDSTDERR: Generate_Wannier.c:7940:18: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s.wfinfo",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from Generate_Wannier.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 8 and 1006 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_Input_std.c: In function 'TRAN_Input_std': BUILDSTDERR: TRAN_Input_std.c:43:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[MAXBUF]; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Input_std.c:38:9: warning: unused variable 'fp' [-Wunused-variable] BUILDSTDERR: FILE *fp; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap.c BUILDSTDERR: Generate_Wannier.c: In function 'Wannier_Interpolation': BUILDSTDERR: Generate_Wannier.c:9051:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s.HWR",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from Generate_Wannier.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 5 and 1003 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: Generate_Wannier.c:9170:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s.Wannier_Band",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from Generate_Wannier.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 14 and 1012 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c: In function 'TRAN_Set_CentOverlap': BUILDSTDERR: TRAN_Set_CentOverlap.c:115:19: warning: unused variable 'h0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap.c:115:16: warning: unused variable 's0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap.c:115:12: warning: unused variable 'tmp' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:110:9: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN,GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:184:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:234:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:287:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:332:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreenLesser.c BUILDSTDERR: TRAN_Calc_CentGreenLesser.c: In function 'TRAN_Calc_CentGreenLesser': BUILDSTDERR: TRAN_Calc_CentGreenLesser.c:57:7: warning: unused variable 'side' [-Wunused-variable] BUILDSTDERR: int side; BUILDSTDERR: ^~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Input_std_Atoms.c BUILDSTDERR: TRAN_Input_std_Atoms.c: In function 'TRAN_Input_std_Atoms': BUILDSTDERR: TRAN_Input_std_Atoms.c:114:7: warning: suggest parentheses around assignment used as truth value [-Wparentheses] BUILDSTDERR: if (fp=input_find("' or provide a declaration of 'memset' BUILDSTDERR: DFTD3vdW_init.c:23:1: BUILDSTDERR: +#include BUILDSTDERR: BUILDSTDERR: DFTD3vdW_init.c:33502:3: BUILDSTDERR: memset( maxcn_dftD, -1, sizeof( maxcn_dftD) ); BUILDSTDERR: ^~~~~~ BUILDSTDERR: DFTD3vdW_init.c:33502:33: warning: argument to 'sizeof' in 'memset' call is the same expression as the destination; did you mean to dereference it? [-Wsizeof-pointer-memaccess] BUILDSTDERR: memset( maxcn_dftD, -1, sizeof( maxcn_dftD) ); BUILDSTDERR: ^ BUILDSTDERR: DFTD3vdW_init.c:33503:34: warning: argument to 'sizeof' in 'memset' call is the same expression as the destination; did you mean to dereference it? [-Wsizeof-pointer-memaccess] BUILDSTDERR: memset( rcov_dftD, -1.0, sizeof( rcov_dftD) ); BUILDSTDERR: ^ BUILDSTDERR: DFTD3vdW_init.c:33504:34: warning: argument to 'sizeof' in 'memset' call is the same expression as the destination; did you mean to dereference it? [-Wsizeof-pointer-memaccess] BUILDSTDERR: memset( r2r4_dftD, -1.0, sizeof( r2r4_dftD) ); BUILDSTDERR: ^ BUILDSTDERR: DFTD3vdW_init.c:33666:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if(DFTD3_damp_dftD==1)printf(" alp6=%f, alp8=%f, sr6=%f\n",alp6_dftD,alp8_dftD,sr6_dftD);fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: DFTD3vdW_init.c:33666:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if(DFTD3_damp_dftD==1)printf(" alp6=%f, alp8=%f, sr6=%f\n",alp6_dftD,alp8_dftD,sr6_dftD);fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: DFTD3vdW_init.c:33667:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if(DFTD3_damp_dftD==2)printf(" a1=%f, a2=%f\n",a1_dftD,a2_dftD);fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: DFTD3vdW_init.c:33667:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if(DFTD3_damp_dftD==2)printf(" a1=%f, a2=%f\n",a1_dftD,a2_dftD);fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: DFTD3vdW_init.c:35:13: warning: unused variable 'l' [-Wunused-variable] BUILDSTDERR: int i,j,k,l,iZ,jZ; BUILDSTDERR: ^ BUILDSTDERR: DFTD3vdW_init.c:34:19: warning: unused variable 'templen' [-Wunused-variable] BUILDSTDERR: double maxlentv,templen; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: DFTD3vdW_init.c:34:10: warning: unused variable 'maxlentv' [-Wunused-variable] BUILDSTDERR: double maxlentv,templen; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: In file included from DFTD3vdW_init.c:20: BUILDSTDERR: DFTD3vdW_init.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c: In function 'Update_Coordinates': BUILDSTDERR: neb.c:1661:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileOPT,"%s%s.neb.opt",filepath,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1694:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileE,"%s%s.neb.ene",filepath,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from DFTD3vdW_init.c:20: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from DFTD3vdW_init.c:20: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: neb.c: In function 'neb': BUILDSTDERR: neb.c:947:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1000:21: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:1000:17: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:981:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:981:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:981:23: warning: '%i' directive writing 1 byte into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 502 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1044:27: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1105:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld3+1+(h-1)*PN); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1108:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1+(h-1)*PN); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:575:32: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:607:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:607:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:651:36: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:708:25: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld3+1+(h-1)*numprocs); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:711:25: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1+(h-1)*numprocs); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:238:32: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:270:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:270:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:238:32: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:316:23: warning: '%i' directive writing 1 byte into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 502 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:323:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:323:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:333:36: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:432:25: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,p); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:370:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:370:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1115:29: warning: 'MPI_CommWD3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: neb_run( argv,MPI_CommWD3[myworld3],myworld3+1+(h-1)*PN,neb_atom_coordinates, BUILDSTDERR: ^ BUILDSTDERR: neb.c:1251:7: warning: 'Comm_WOrld_StartID3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_WOrld_StartID3); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1252:7: warning: 'NPROCS_WD3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD3); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1253:7: warning: 'Comm_World3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World3); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1254:7: warning: 'NPROCS_ID3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID3); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:984:29: warning: 'MPI_CommWD2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: neb_run( argv,MPI_CommWD2[myworld2],index_images,neb_atom_coordinates, BUILDSTDERR: ^ BUILDSTDERR: neb.c:1240:5: warning: 'Comm_World_StartID2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World_StartID2); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1241:5: warning: 'NPROCS_WD2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD2); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:96:8: warning: 'Comm_World2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int *Comm_World2; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: neb.c:1243:5: warning: 'NPROCS_ID2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID2); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:473:2: warning: 'MPI_CommWD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: MPI_Comm_free(&MPI_CommWD1[myworld1]); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:475:2: warning: 'Comm_World_StartID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World_StartID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:476:2: warning: 'NPROCS_WD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:477:2: warning: 'Comm_World1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:478:2: warning: 'NPROCS_ID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c neb_run.c BUILDSTDERR: In file included from neb_run.c:21: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from neb_run.c:21: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from neb_run.c:21: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: neb_run.c: In function 'neb_run': BUILDSTDERR: neb_run.c:73:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileMemory,"%s%s.memory%i",filepath,filename,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb_run.c:12: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1017 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c neb_check.c BUILDSTDERR: In file included from neb_check.c:19: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from neb_check.c:19: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from neb_check.c:19: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c cellopt.c BUILDSTDERR: cellopt.c: In function 'cellopt': BUILDSTDERR: cellopt.c:32:7: warning: unused variable 'i_vec' [-Wunused-variable] BUILDSTDERR: int i_vec[40]; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:31:9: warning: unused variable 's_vec' [-Wunused-variable] BUILDSTDERR: char *s_vec[40]; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:30:11: warning: unused variable 'flag' [-Wunused-variable] BUILDSTDERR: int i,j,flag; BUILDSTDERR: ^~~~ BUILDSTDERR: cellopt.c:30:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,flag; BUILDSTDERR: ^ BUILDSTDERR: cellopt.c:30:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,flag; BUILDSTDERR: ^ BUILDSTDERR: cellopt.c: In function 'CellCub': BUILDSTDERR: cellopt.c:55:15: warning: unused variable 'fileDRC' [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: cellopt.c:54:15: warning: unused variable 'fileE' [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:52:20: warning: variable 'Cell_Volume0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double tv0[4][4],Cell_Volume0; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: cellopt.c:49:48: warning: unused variable 'v1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:49:45: warning: unused variable 'v0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:49:36: warning: unused variable 'v_step' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~~~~ BUILDSTDERR: cellopt.c:49:32: warning: unused variable 'gf1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:49:28: warning: unused variable 'gf0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:47:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:44:24: warning: unused variable 'po' [-Wunused-variable] BUILDSTDERR: int i,j,I,INFO,Gc_AN,po; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c: In function 'CellTet': BUILDSTDERR: cellopt.c:257:15: warning: unused variable 'fileDRC' [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: cellopt.c:256:15: warning: unused variable 'fileE' [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:254:20: warning: variable 'Cell_Volume0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double tv0[4][4],Cell_Volume0; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: cellopt.c:252:48: warning: unused variable 'v1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:252:45: warning: unused variable 'v0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:252:43: warning: unused variable 'v' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^ BUILDSTDERR: cellopt.c:252:36: warning: unused variable 'v_step' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~~~~ BUILDSTDERR: cellopt.c:252:32: warning: unused variable 'gf1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:252:28: warning: unused variable 'gf0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:252:25: warning: unused variable 'gf' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:252:16: warning: unused variable 'len' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:249:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:246:42: warning: unused variable 'po' [-Wunused-variable] BUILDSTDERR: int i,j,i1,i2,j1,j2,k1,k2,I,INFO,Gc_AN,po,Imin; BUILDSTDERR: ^~ BUILDSTDERR: In file included from cellopt.c:18: BUILDSTDERR: cellopt.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: cellopt.c:256:15: warning: 'fileE' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:257:15: warning: 'fileDRC' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: cellopt.c:54:15: warning: 'fileE' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:55:15: warning: 'fileDRC' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from cellopt.c:18: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from cellopt.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: cellopt.c: In function 'CellTet': BUILDSTDERR: cellopt.c:537:9: warning: 'Imin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: A = His_a[Imin]; BUILDSTDERR: ~~^~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Allocate_NC.c BUILDSTDERR: TRAN_Allocate_NC.c: In function 'TRAN_Allocate_Cregion_NC': BUILDSTDERR: TRAN_Allocate_NC.c:53:8: warning: unused variable 'MP' [-Wunused-variable] BUILDSTDERR: int *MP; /* dummy */ BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Allocate_NC.c: In function 'TRAN_Allocate_Lead_Region_NC': BUILDSTDERR: TRAN_Allocate_NC.c:103:9: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,k,n2,iside,num[2]; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Allocate_NC.c:102:8: warning: unused variable 'MP' [-Wunused-variable] BUILDSTDERR: int *MP; /* dummy */ BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_DFT_NC.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap_NC.c BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_NC': BUILDSTDERR: TRAN_DFT_NC.c:173:24: warning: variable 'time5' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double TStime,TEtime,time5; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_Original': BUILDSTDERR: TRAN_DFT_NC.c:571:18: warning: unused variable 'kRn' [-Wunused-variable] BUILDSTDERR: double co,si,kRn; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_DFT_NC.c:571:15: warning: unused variable 'si' [-Wunused-variable] BUILDSTDERR: double co,si,kRn; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:571:12: warning: unused variable 'co' [-Wunused-variable] BUILDSTDERR: double co,si,kRn; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:570:20: warning: unused variable 'Bnum' [-Wunused-variable] BUILDSTDERR: int itot0,Anum,Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_DFT_NC.c:570:15: warning: variable 'Anum' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int itot0,Anum,Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_DFT_NC.c:265:24: warning: variable 'l3' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i2,i3,k_op,l1,l2,l3,RnB; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:265:21: warning: variable 'l2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i2,i3,k_op,l1,l2,l3,RnB; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_Kdependent': BUILDSTDERR: TRAN_DFT_NC.c:1126:9: warning: variable 'l1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int l1,l2,l3,RnB; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:918:11: warning: unused variable 'iw0' [-Wunused-variable] BUILDSTDERR: int Miw,iw0; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_DFT_NC.c:917:14: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: static int ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:913:7: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_DFT_NC.c:912:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:912:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:911:10: warning: unused variable 'dum' [-Wunused-variable] BUILDSTDERR: double dum; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_DFT_NC.c:903:19: warning: variable 'spinsize' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i,j,k,iside,spinsize; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: At top level: BUILDSTDERR: TRAN_DFT_NC.c:917:14: warning: 'ID' defined but not used [-Wunused-variable] BUILDSTDERR: static int ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c: In function 'TRAN_Set_CentOverlap_NC': BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:148:19: warning: unused variable 'h0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:148:16: warning: unused variable 's0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:148:12: warning: unused variable 'tmp' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:145:13: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k,q,AN; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:143:9: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN,GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:257:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:253:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:336:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:332:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:416:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:414:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:496:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:494:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:112:7: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_NC': BUILDSTDERR: TRAN_DFT_NC.c:801:7: warning: 'MPI_CommWD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: MPI_Comm_free(&MPI_CommWD1[myworld1]); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:289:13: note: 'MPI_CommWD1' was declared here BUILDSTDERR: MPI_Comm *MPI_CommWD1; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:807:5: warning: 'Comm_World_StartID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World_StartID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:288:8: note: 'Comm_World_StartID1' was declared here BUILDSTDERR: int *Comm_World_StartID1; BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:806:5: warning: 'NPROCS_WD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:287:8: note: 'NPROCS_WD1' was declared here BUILDSTDERR: int *NPROCS_WD1; BUILDSTDERR: ^~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:805:5: warning: 'Comm_World1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:286:8: note: 'Comm_World1' was declared here BUILDSTDERR: int *Comm_World1; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:804:5: warning: 'NPROCS_ID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:285:8: note: 'NPROCS_ID1' was declared here BUILDSTDERR: int *NPROCS_ID1; BUILDSTDERR: ^~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Set_SurfOverlap_NC.c BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c: In function 'TRAN_Set_SurfOverlap_NC': BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:67:8: warning: unused variable 'msg' [-Wunused-variable] BUILDSTDERR: char msg[100]; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:64:17: warning: unused variable 'epscutoff' [-Wunused-variable] BUILDSTDERR: static double epscutoff=1.0e-8; BUILDSTDERR: ^~~~~~~~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:62:12: warning: unused variable 'h' [-Wunused-variable] BUILDSTDERR: double s,h[10]; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:62:10: warning: unused variable 's' [-Wunused-variable] BUILDSTDERR: double s,h[10]; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:56:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: At top level: BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:64:17: warning: 'epscutoff' defined but not used [-Wunused-variable] BUILDSTDERR: static double epscutoff=1.0e-8; BUILDSTDERR: ^~~~~~~~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c: In function 'TRAN_Set_SurfOverlap_NC': BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:87:3: warning: 'iside' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: TRAN_Set_MP(1, atomnum_e[iside], WhatSpecies_e[iside], Spe_Total_CNO_e[iside], &NUM, MP); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:172:10: warning: 'direction' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: if (l1==direction) { BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Calc_OneTransmission.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis.c BUILDSTDERR: TRAN_Main_Analysis.c: In function 'TRAN_Main_Analysis': BUILDSTDERR: TRAN_Main_Analysis.c:713:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\n calculating...\n\n"); fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:713:59: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\n calculating...\n\n"); fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:872:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\nTransmission: files\n\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:872:62: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\nTransmission: files\n\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:928:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\nCurrent: file\n\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:928:56: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\nCurrent: file\n\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:942:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:942:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:952:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\nConductance: file\n\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:952:60: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\nConductance: file\n\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:973:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:973:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:983:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0 == Host_ID) printf("\nCurrentdensity: file\n\n"); fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:983:66: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0 == Host_ID) printf("\nCurrentdensity: file\n\n"); fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:1062:70: warning: statement with no effect [-Wunused-value] BUILDSTDERR: if (TRAN_Channel_Nenergy * TRAN_Channel_Nkpoint <= 0) TRAN_Channel == 0; BUILDSTDERR: ~~~~~~~~~~~~~^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:429:34: warning: variable 'k_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int kloop0,kloop,S_knum,E_knum,k_op; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:28: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:23: warning: unused variable 'Cwan' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:18: warning: unused variable 'tno1' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:13: warning: unused variable 'tno0' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:427:18: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:427:13: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:427:7: warning: unused variable 'Gc_AN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Read_Tran_HS': BUILDSTDERR: TRAN_Main_Analysis.c:1409:13: warning: unused variable 'spin' [-Wunused-variable] BUILDSTDERR: int iside,spin; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Transmission': BUILDSTDERR: TRAN_Main_Analysis.c:2266:14: warning: unused variable 'status' [-Wunused-variable] BUILDSTDERR: MPI_Status status; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:2265:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c:2261:7: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int tag=99; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Current': BUILDSTDERR: TRAN_Main_Analysis.c:2487:14: warning: unused variable 'status' [-Wunused-variable] BUILDSTDERR: MPI_Status status; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:2486:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c:2482:7: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int tag=99; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Main_Analysis.c:2481:7: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Output_Transmission': BUILDSTDERR: TRAN_Main_Analysis.c:2703:10: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int iw,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Output_Current': BUILDSTDERR: TRAN_Main_Analysis.c:2811:12: warning: unused variable 'w' [-Wunused-variable] BUILDSTDERR: dcomplex w; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c:2808:7: warning: unused variable 'iw' [-Wunused-variable] BUILDSTDERR: int iw,i2,i3; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis_NC.c BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Input': BUILDSTDERR: TRAN_Main_Analysis.c:3315:9: warning: suggest parentheses around assignment used as truth value [-Wparentheses] BUILDSTDERR: if (fp = input_find("= tmp_threshold){ BUILDSTDERR: ^ BUILDSTDERR: NBO_Krylov.c:8643:11: note: 'tmp_threshold' was declared here BUILDSTDERR: double tmp_threshold,sum; BUILDSTDERR: ^~~~~~~~~~~~~ BUILDSTDERR: NBO_Krylov.c:1139:23: warning: 'kp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int jc, jp, kc, kg, kp; BUILDSTDERR: ^~ BUILDSTDERR: NBO_Krylov.c:1139:11: warning: 'jp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int jc, jp, kc, kg, kp; BUILDSTDERR: ^~ BUILDSTDERR: NBO_Krylov.c:1127:9: warning: 'tmp_array' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(tmp_array); /* freeing of array */ BUILDSTDERR: ^~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx.o exx.c BUILDSTDERR: exx.c: In function 'EXX_New': BUILDSTDERR: exx.c:138:9: warning: 'nshell_ep' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: nep = EXX_Index_EP(natom, nshell_ep, self->atom_rc, self->atom_v, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: pvec, rc_cut, NULL, NULL, NULL); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: exx.c:136:9: warning: 'nshell_op' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: nop = EXX_Index_OP(natom, nshell_op, self->atom_rc, self->atom_v, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: pvec, NULL, NULL, NULL); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_index.o exx_index.c BUILDSTDERR: exx_index.c: In function 'EXX_Index_Cmp_OP': BUILDSTDERR: exx_index.c:91:25: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int ncd_op, ncell_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_OP': BUILDSTDERR: exx_index.c:331:47: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^ BUILDSTDERR: exx_index.c:331:44: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^ BUILDSTDERR: exx_index.c:331:41: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^ BUILDSTDERR: exx_index.c:331:34: warning: unused variable 'cc' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_EQ': BUILDSTDERR: exx_index.c:418:18: warning: unused variable 'cc2' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:418:10: warning: unused variable 'cc1' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:414:53: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int neq, ncell, ncd, nshell_op, ncell_op, ncd_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_EP': BUILDSTDERR: exx_index.c:561:36: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nshell_op, ncd_op, ncell_op, ic0_op, ncd, ncell, iflag, nep; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_NQ_Full': BUILDSTDERR: exx_index.c:690:18: warning: unused variable 'cc2' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:690:10: warning: unused variable 'cc1' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:686:52: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nq, ncell, ncd, nshell_op, ncell_op, ncd_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c:685:59: warning: variable 'ic0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, icell1, icell2, icell3, ic0; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_NQ_Reduced': BUILDSTDERR: exx_index.c:802:18: warning: unused variable 'cc2' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:802:10: warning: unused variable 'cc1' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:798:52: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nq, ncell, ncd, nshell_op, ncell_op, ncd_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c:797:59: warning: variable 'ic0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, icell1, icell2, icell3, ic0; BUILDSTDERR: ^~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_vector.o exx_vector.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_log.o exx_log.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_step1.o exx_step1.c BUILDSTDERR: exx_step1.c: In function 'EXX_Step1': BUILDSTDERR: exx_step1.c:63:14: warning: unused variable 'mpistat' [-Wunused-variable] BUILDSTDERR: MPI_Status mpistat; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: exx_step1.c:55:16: warning: unused variable 'nq_sig' [-Wunused-variable] BUILDSTDERR: int nq_full, nq_sig; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_step1.c:55:7: warning: unused variable 'nq_full' [-Wunused-variable] BUILDSTDERR: int nq_full, nq_sig; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: exx_step1.c:39:16: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x, y, z, c1[3], c2[3], rc1, rc2, d, rc12, cx12, c12[3]; BUILDSTDERR: ^ BUILDSTDERR: exx_step1.c:39:13: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x, y, z, c1[3], c2[3], rc1, rc2, d, rc12, cx12, c12[3]; BUILDSTDERR: ^ BUILDSTDERR: exx_step1.c:39:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x, y, z, c1[3], c2[3], rc1, rc2, d, rc12, cx12, c12[3]; BUILDSTDERR: ^ BUILDSTDERR: exx_step1.c:33:10: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i, j; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_step2.o exx_step2.c BUILDSTDERR: exx_step2.c: In function 'step2_core': BUILDSTDERR: exx_step2.c:116:27: warning: unused variable 'glY' [-Wunused-variable] BUILDSTDERR: double *mm_A, *mul_gc, *glY; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:116:11: warning: unused variable 'mm_A' [-Wunused-variable] BUILDSTDERR: double *mm_A, *mul_gc, *glY; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:113:22: warning: unused variable 'X' [-Wunused-variable] BUILDSTDERR: double I4[NRNMAX], X[NRNMAX*ERI_LMAXMAX*ERI_LMAXMAX]; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c:113:10: warning: unused variable 'I4' [-Wunused-variable] BUILDSTDERR: double I4[NRNMAX], X[NRNMAX*ERI_LMAXMAX*ERI_LMAXMAX]; BUILDSTDERR: ^~ BUILDSTDERR: exx_step2.c:108:17: warning: unused variable 'nrn0' [-Wunused-variable] BUILDSTDERR: int nrn, irn, nrn0; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:102:34: warning: unused variable 'cnt3' [-Wunused-variable] BUILDSTDERR: unsigned long long cnt1, cnt2, cnt3; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:100:16: warning: variable 'thresh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double rmin, thresh; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_step2.c:95:17: warning: unused variable 'glf2_max' [-Wunused-variable] BUILDSTDERR: const double *glf2_max; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_step2.c:94:17: warning: unused variable 'glf1_max' [-Wunused-variable] BUILDSTDERR: const double *glf1_max; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_step2.c:93:22: warning: unused variable 'ip2' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:93:17: warning: unused variable 'ip1' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:93:12: warning: unused variable 'np2' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:93:7: warning: unused variable 'np1' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:87:22: warning: unused variable 'ngrid' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_step2.c:87:7: warning: unused variable 'lmax' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:74:12: warning: variable 'natom' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nop, natom, nshop, nshep; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_step2.c:74:7: warning: variable 'nop' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nop, natom, nshop, nshep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:62:16: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i, k, f, j; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c:62:10: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i, k, f, j; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c: In function 'EXX_Step2': BUILDSTDERR: exx_step2.c:355:41: warning: unused variable 'nd' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~ BUILDSTDERR: exx_step2.c:355:34: warning: unused variable 'ndglf' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_step2.c:340:13: warning: unused variable 'f' [-Wunused-variable] BUILDSTDERR: int i, k, f, iop1, iop2, nop; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c:340:10: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i, k, f, iop1, iop2, nop; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c: In function 'step2_core': BUILDSTDERR: exx_step2.c:333:13: warning: 'cnt2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: *out_cnt2 = cnt2; BUILDSTDERR: ~~~~~~~~~~^~~~~~ BUILDSTDERR: exx_step2.c:332:13: warning: 'cnt1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: *out_cnt1 = cnt1; BUILDSTDERR: ~~~~~~~~~~^~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_file_overlap.o exx_file_overlap.c BUILDSTDERR: exx_file_overlap.c: In function 'EXX_File_Overlap_Write': BUILDSTDERR: exx_file_overlap.c:28:22: warning: unused variable 'nd1' [-Wunused-variable] BUILDSTDERR: int myrank, nproc, nd1, iop; BUILDSTDERR: ^~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_file_eri.o exx_file_eri.c BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Create': BUILDSTDERR: exx_file_eri.c:35:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Write': BUILDSTDERR: exx_file_eri.c:65:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c:62:17: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: int neri, nr, stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Read_NRecord': BUILDSTDERR: exx_file_eri.c:111:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Read_Data_Head': BUILDSTDERR: exx_file_eri.c:139:14: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t cb, sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Read': BUILDSTDERR: exx_file_eri.c:200:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz, cb; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_interface_openmx.o exx_interface_openmx.c BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_OP2EP_Cluster': BUILDSTDERR: exx_interface_openmx.c:643:19: warning: variable 'nep' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, k, l, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_Fock_Cluster': BUILDSTDERR: exx_interface_openmx.c:765:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:764:20: warning: unused variable 'iproc' [-Wunused-variable] BUILDSTDERR: int nproc, myid, iproc; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_interface_openmx.c:758:45: warning: variable 'tnoB' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN, wanA, tnoA, Anum, GB_AN, wanB, tnoB, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:758:20: warning: variable 'tnoA' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN, wanA, tnoA, Anum, GB_AN, wanB, tnoB, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:753:25: warning: variable 'op_atom2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:753:14: warning: variable 'op_atom1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:746:29: warning: unused variable 'nep' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:746:24: warning: unused variable 'irn' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:746:13: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^ BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_Fock_Band': BUILDSTDERR: exx_interface_openmx.c:1047:36: warning: variable 'si2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double kRn, kRmp, co1, si1, co2, si2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1047:31: warning: variable 'co2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double kRn, kRmp, co1, si1, co2, si2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1043:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1028:25: warning: variable 'op_atom2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1028:14: warning: variable 'op_atom1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1021:29: warning: unused variable 'nep' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1021:13: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^ BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_Energy_Band': BUILDSTDERR: exx_interface_openmx.c:1237:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1227:25: warning: variable 'op_atom2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1227:14: warning: variable 'op_atom1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1223:63: warning: variable 'icell2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, ib1, ib2, ib3, ib4, icell1, icell2; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_interface_openmx.c:1223:55: warning: variable 'icell1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, ib1, ib2, ib3, ib4, icell1, icell2; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_interface_openmx.c:1221:26: warning: variable 'Bnum' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1221:19: warning: unused variable 'GB_AN' [-Wunused-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_interface_openmx.c:1221:13: warning: variable 'Anum' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1221:7: warning: unused variable 'GA_AN' [-Wunused-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_interface_openmx.c:1219:29: warning: unused variable 'nep' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep, spin; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1219:13: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep, spin; BUILDSTDERR: ^ BUILDSTDERR: exx_interface_openmx.c:1218:22: warning: unused variable 'iproc' [-Wunused-variable] BUILDSTDERR: int myrank, nproc, iproc; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from exx_interface_openmx.c:10: BUILDSTDERR: exx_interface_openmx.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_interface_openmx.c:10: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_interface_openmx.c:10: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_debug.o exx_debug.c BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_on_OpenMX_Init': BUILDSTDERR: exx_interface_openmx.c:256:11: warning: 'rc_cut' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: g_exx = EXX_New(natom, atom_v, atom_sp, nspec, spec_rc, spec_nb, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: pvec, w_scr, rc_cut, system_type, g_exx_cachedir); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:256:11: warning: 'system_type' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: exx_debug.c: In function 'EXX_Debug_Copy_DM': BUILDSTDERR: exx_debug.c:22:20: warning: unused variable 'diff' [-Wunused-variable] BUILDSTDERR: double dm1, dm2, diff; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_debug.c:22:15: warning: unused variable 'dm2' [-Wunused-variable] BUILDSTDERR: double dm1, dm2, diff; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:22:10: warning: unused variable 'dm1' [-Wunused-variable] BUILDSTDERR: double dm1, dm2, diff; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:20:17: warning: unused variable 'iatm' [-Wunused-variable] BUILDSTDERR: int iep, nep, iatm, nb, nb1, nb2, nbmax; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_debug.c:18:34: warning: unused variable 'iproc' [-Wunused-variable] BUILDSTDERR: int spin, i, j, myrank, nproc, iproc, ib; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_debug.c: In function 'EXX_Debug_Check_DM': BUILDSTDERR: exx_debug.c:191:12: warning: unused variable 'ia2' [-Wunused-variable] BUILDSTDERR: int ia1, ia2, l1, l2, l3, iep, Rn; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:191:7: warning: unused variable 'ia1' [-Wunused-variable] BUILDSTDERR: int ia1, ia2, l1, l2, l3, iep, Rn; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:189:33: warning: unused variable 'Anum' [-Wunused-variable] BUILDSTDERR: int i, j, spin, MA_AN, GA_AN, Anum, LB_AN, GB_AN; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_debug.c:4: BUILDSTDERR: exx_debug.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_debug.c:4: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_debug.c:4: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: exx_debug.c: In function 'EXX_Initial_DM': BUILDSTDERR: exx_debug.c:137:14: warning: 'spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: exx_CDM[spin][iep][i][i].r = den; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_xc.o exx_xc.c BUILDSTDERR: In file included from exx_xc.c:11: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_xc.c:11: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_xc.c:11: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_rhox.o exx_rhox.c BUILDSTDERR: exx_rhox.c: In function 'EXX_Output_DM': BUILDSTDERR: exx_rhox.c:21:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_rhox.c:16:38: warning: unused variable 'icell' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:16:31: warning: unused variable 'iatm2' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:16:24: warning: unused variable 'iatm1' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:15:15: warning: unused variable 'nproc' [-Wunused-variable] BUILDSTDERR: int myrank, nproc; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:15:7: warning: unused variable 'myrank' [-Wunused-variable] BUILDSTDERR: int myrank, nproc; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_rhox.c: In function 'EXX_Input_DM': BUILDSTDERR: exx_rhox.c:92:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_rhox.c:87:38: warning: unused variable 'icell' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:87:31: warning: unused variable 'iatm2' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:87:24: warning: unused variable 'iatm1' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from exx_rhox.c:7: BUILDSTDERR: exx_rhox.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: exx_rhox.c: In function 'EXX_Input_DM': BUILDSTDERR: exx_rhox.c:163:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(&exx_DM[spin][iep][i][j].r, sizeof(double), 1, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: exx_rhox.c:164:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(&exx_DM[spin][iep][i][j].i, sizeof(double), 1, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_rhox.c:7: BUILDSTDERR: At top level: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_rhox.c:7: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri.o liberi-091216/source/eri.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_ll.o liberi-091216/source/eri_ll.c BUILDSTDERR: liberi-091216/source/eri.c: In function 'ERI_Overlap': BUILDSTDERR: liberi-091216/source/eri.c:133:43: warning: passing argument 5 of 'ERI_LL_Overlap_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:532:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *da1[3], BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:133:56: warning: passing argument 7 of 'ERI_LL_Overlap_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:534:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *da2[3], BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:45:26: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ngrid, lmax, jmax, j; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri.c:45:20: warning: variable 'jmax' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int ngrid, lmax, jmax, j; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c:45:7: warning: variable 'ngrid' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int ngrid, lmax, jmax, j; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/eri.c: In function 'ERI_Integral': BUILDSTDERR: liberi-091216/source/eri.c:228:35: warning: passing argument 3 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, BUILDSTDERR: ^~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:574:17: note: expected 'double (*)[3][2]' but argument is of type 'double *' BUILDSTDERR: double dI4[4][3][2], BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~~~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:228:50: warning: passing argument 6 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:577:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *dF1[3], /* (IN) Overlap matrix */ BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:228:56: warning: passing argument 7 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:578:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *dF2[3], /* (IN) */ BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:191:23: warning: unused variable 'clk3' [-Wunused-variable] BUILDSTDERR: clock_t clk1, clk2, clk3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c:191:17: warning: unused variable 'clk2' [-Wunused-variable] BUILDSTDERR: clock_t clk1, clk2, clk3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c:191:11: warning: unused variable 'clk1' [-Wunused-variable] BUILDSTDERR: clock_t clk1, clk2, clk3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c: In function 'orbital_T': BUILDSTDERR: liberi-091216/source/eri.c:268:17: warning: variable 'kmesh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const double *kmesh; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Required_Size': BUILDSTDERR: liberi-091216/source/eri_ll.c:210:17: warning: variable 'jmax' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nq, type, jmax; BUILDSTDERR: ^~~~ BUILDSTDERR: At top level: BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha': BUILDSTDERR: liberi-091216/source/eri_ll.c:597:26: warning: variable 'm1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int j, j1, j2, ir, l1, m1, l2, m2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri.c:330:15: warning: 'orbital_r' defined but not used [-Wunused-function] BUILDSTDERR: static double orbital_r( BUILDSTDERR: ^~~~~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:755:29: warning: variable 'm1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, ir, j1, j2, l1, m1, l2, m2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:1033:14: warning: unused variable 'j2m' [-Wunused-variable] BUILDSTDERR: const int *j2m = g_itbl_j2m; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_ll.c:1032:14: warning: unused variable 'j2l' [-Wunused-variable] BUILDSTDERR: const int *j2l = g_itbl_j2l; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:1178:49: warning: variable 'm' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, j1, j2, ir, ia1, ia2, ip, ixyz, l, m; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1178:46: warning: variable 'l' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, j1, j2, ir, ia1, ia2, ip, ixyz, l, m; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL': BUILDSTDERR: liberi-091216/source/eri_ll.c:1672:18: warning: unused variable 'gnt_r' [-Wunused-variable] BUILDSTDERR: double k, gnt, gnt_r[2], sum[2], FG[2], int1[2], sum2[2]; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_PrejY': BUILDSTDERR: liberi-091216/source/eri_ll.c:2165:13: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double k, z; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_Post': BUILDSTDERR: liberi-091216/source/eri_ll.c:2316:15: warning: unused variable 'sh' [-Wunused-variable] BUILDSTDERR: double gnt, sh, sum; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2315:41: warning: unused variable 'l2' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2315:37: warning: unused variable 'l1' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2314:30: warning: unused variable 'lphase' [-Wunused-variable] BUILDSTDERR: int ngl, lmax, jmax, nmul, lphase; BUILDSTDERR: ^~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_Post2': BUILDSTDERR: liberi-091216/source/eri_ll.c:2413:15: warning: unused variable 'sh' [-Wunused-variable] BUILDSTDERR: double gnt, sh, sum; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2412:41: warning: unused variable 'l2' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2412:37: warning: unused variable 'l1' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2411:30: warning: unused variable 'lphase' [-Wunused-variable] BUILDSTDERR: int ngl, lmax, jmax, nmul, lphase; BUILDSTDERR: ^~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_X': BUILDSTDERR: liberi-091216/source/eri_ll.c:2488:41: warning: unused variable 'l2' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2488:37: warning: unused variable 'l1' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2488:7: warning: unused variable 'iR' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2487:30: warning: unused variable 'lphase' [-Wunused-variable] BUILDSTDERR: int ngl, lmax, jmax, nmul, lphase; BUILDSTDERR: ^~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_sf.o liberi-091216/source/eri_sf.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Size_of_Alpha': BUILDSTDERR: liberi-091216/source/eri_ll.c:375:32: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: return sizeof(double)*(ndalp + jmax); BUILDSTDERR: ~~~~~~~^~~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Size_of_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:395:30: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: return sizeof(double)*(ndp + jmax0); BUILDSTDERR: ~~~~~^~~~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Size_of_GLF': BUILDSTDERR: liberi-091216/source/eri_ll.c:415:32: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: return sizeof(double)*(ndglf + jmax0); BUILDSTDERR: ~~~~~~~^~~~~~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c: In function 'sph_bessel_drec': BUILDSTDERR: liberi-091216/source/eri_sf.c:214:39: warning: variable 'ix2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double j0, j1, sf, tmp, si, co, ix, ix2, tsb[1024], huge; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_sf.c: In function 'ERI_Gaunt': BUILDSTDERR: liberi-091216/source/eri_sf.c:529:10: warning: unused variable 'result' [-Wunused-variable] BUILDSTDERR: double result, cg1, cg2; BUILDSTDERR: ^~~~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:28: warning: unused variable 'tmp3' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:22: warning: unused variable 'tmp2' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:16: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:10: warning: unused variable 'tmp0' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: At top level: BUILDSTDERR: liberi-091216/source/eri_sf.c:114:13: warning: 'ERI_RCSH_Coeff_Inverse' defined but not used [-Wunused-function] BUILDSTDERR: static void ERI_RCSH_Coeff_Inverse(int m, double c[2], double d[2]) BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha': BUILDSTDERR: liberi-091216/source/eri_ll.c:604:7: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndalp; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:770:7: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndalp; BUILDSTDERR: ^~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_interpolate.o liberi-091216/source/eri_interpolate.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:1071:14: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: amax1 = &a1[ndalp]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1035:7: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndp, ndalp; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_interpolate.c: In function 'extrapolate': BUILDSTDERR: liberi-091216/source/eri_interpolate.c:297:10: warning: variable 'c' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:1220:18: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: amax1 = &a1[ndalp]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1185:7: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndp, ndalp; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Transform_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:1492:12: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: pmax = &P[ndp]; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_gtbl.o liberi-091216/source/eri_gtbl.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_GL_Interpolate': BUILDSTDERR: liberi-091216/source/eri_ll.c:1594:16: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: glfmax = &glF[ndglf]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1595:14: warning: 'ndf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fmax = &F[ndf]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL': BUILDSTDERR: liberi-091216/source/eri_ll.c:1721:14: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fmax1 = &F1[ndglf]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_gtbl.c: In function 'gtbl_nmax': BUILDSTDERR: liberi-091216/source/eri_gtbl.c:72:36: warning: unused variable 'j2' [-Wunused-variable] BUILDSTDERR: int l, m, j, l1, m1, j1, l2, m2, j2, lsum, n, jmax; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_gtbl.c:72:24: warning: unused variable 'j1' [-Wunused-variable] BUILDSTDERR: int l, m, j, l1, m1, j1, l2, m2, j2, lsum, n, jmax; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/eri_sbt.o liberi-091216/source/sbt/eri_sbt.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:1938:14: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fmax1 = &F1[ndglf]; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/log/eri_fsbt.o liberi-091216/source/sbt/log/eri_fsbt.c BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c: In function 'ERI_FSBT_Transform_Input': BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c:255:17: warning: unused variable 'Mmesh' [-Wunused-variable] BUILDSTDERR: fftw_complex *Mmesh = ptr->M; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c: In function 'ERI_FSBT_Transform_Output': BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c:286:10: warning: unused variable 'rho' [-Wunused-variable] BUILDSTDERR: double rho, kap, t, p, c, s, e; BUILDSTDERR: ^~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/log/eri_logfsbt.o liberi-091216/source/sbt/log/eri_logfsbt.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/linear/eri_linfsbt.o liberi-091216/source/sbt/linear/eri_linfsbt.c BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'segment_cubic': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:53: warning: unused variable 'c3i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:48: warning: unused variable 'c3r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:43: warning: unused variable 'c2i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:38: warning: unused variable 'c2r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:33: warning: unused variable 'c1i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:28: warning: unused variable 'c1r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:23: warning: unused variable 'c0i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:18: warning: unused variable 'c0r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:14: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:10: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'recsum_cubic_twoway_new': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:454:40: warning: unused variable 'dn7' [-Wunused-variable] BUILDSTDERR: double dn1, dn2, dn3, dn4, dn5, dn6, dn7; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'recsum_cubic_upward_new': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:602:40: warning: unused variable 'dn7' [-Wunused-variable] BUILDSTDERR: double dn1, dn2, dn3, dn4, dn5, dn6, dn7; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:600:13: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int n, i, j; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'calculate_gamma': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:42: warning: unused variable 'g7' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:38: warning: unused variable 'g6' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:34: warning: unused variable 'g5' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:30: warning: unused variable 'g4' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:26: warning: unused variable 'g3' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:22: warning: unused variable 'g2' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:17: warning: unused variable 'tmp' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'transform_switch': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:941:17: warning: unused variable 'iodd' [-Wunused-variable] BUILDSTDERR: int n, ieven, iodd; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:941:10: warning: unused variable 'ieven' [-Wunused-variable] BUILDSTDERR: int n, ieven, iodd; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:941:7: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int n, ieven, iodd; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'transform_in': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:961:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'transform_out': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:999:22: warning: unused variable 'twon' [-Wunused-variable] BUILDSTDERR: double fact, twop, twon; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:999:16: warning: unused variable 'twop' [-Wunused-variable] BUILDSTDERR: double fact, twop, twon; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:999:10: warning: unused variable 'fact' [-Wunused-variable] BUILDSTDERR: double fact, twop, twon; BUILDSTDERR: ^~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -o DosMain.o -c DosMain.c BUILDSTDERR: DosMain.c: In function 'Dos_Histgram': BUILDSTDERR: DosMain.c:372:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'Dos_Gaussian': BUILDSTDERR: DosMain.c:487:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'DosDC_Gaussian': BUILDSTDERR: DosMain.c:667:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:660:16: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int spin,i,j,k,ieg,iecenter; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:660:14: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int spin,i,j,k,ieg,iecenter; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c: In function 'Dos_NEGF': BUILDSTDERR: DosMain.c:839:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:832:18: warning: unused variable 'factor' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:832:15: warning: unused variable 'xa' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:832:13: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:832:10: warning: unused variable 'eg' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:830:22: warning: unused variable 'iecenter' [-Wunused-variable] BUILDSTDERR: int spin,i,j,k,ieg,iecenter; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: DosMain.c:828:7: warning: unused variable 'iewidth' [-Wunused-variable] BUILDSTDERR: int iewidth,ie; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: DosMain.c:827:10: warning: unused variable 'pi2' [-Wunused-variable] BUILDSTDERR: double pi2; BUILDSTDERR: ^~~ BUILDSTDERR: DosMain.c: In function 'Dos_Tetrahedron': BUILDSTDERR: DosMain.c:986:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'Spectra_Gaussian': BUILDSTDERR: DosMain.c:1179:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:1175:28: warning: unused variable 'dE' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:1175:20: warning: unused variable 'MulP' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~~~ BUILDSTDERR: DosMain.c: In function 'SpectraDC_Gaussian': BUILDSTDERR: DosMain.c:1537:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:1528:14: warning: unused variable 'i_Dos' [-Wunused-variable] BUILDSTDERR: int N_Dos, i_Dos[10]; BUILDSTDERR: ^~~~~ BUILDSTDERR: DosMain.c:1528:7: warning: unused variable 'N_Dos' [-Wunused-variable] BUILDSTDERR: int N_Dos, i_Dos[10]; BUILDSTDERR: ^~~~~ BUILDSTDERR: DosMain.c:1526:15: warning: unused variable 'rval' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa,tmp1; BUILDSTDERR: ^~~~ BUILDSTDERR: DosMain.c:1524:16: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,spin,j,k; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:1524:14: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,spin,j,k; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c: In function 'Spectra_Tetrahedron': BUILDSTDERR: DosMain.c:1854:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'Spectra_NEGF': BUILDSTDERR: DosMain.c:2317:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:2313:28: warning: unused variable 'dE' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:2313:20: warning: unused variable 'MulP' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~~~ BUILDSTDERR: DosMain.c:2310:19: warning: unused variable 'iecenter' [-Wunused-variable] BUILDSTDERR: int iewidth,ie,iecenter; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: DosMain.c:2310:8: warning: unused variable 'iewidth' [-Wunused-variable] BUILDSTDERR: int iewidth,ie,iecenter; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: DosMain.c:2309:14: warning: unused variable 'factor' [-Wunused-variable] BUILDSTDERR: double pi2,factor; BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:2309:10: warning: unused variable 'pi2' [-Wunused-variable] BUILDSTDERR: double pi2,factor; BUILDSTDERR: ^~~ BUILDSTDERR: DosMain.c:2306:20: warning: unused variable 'xa' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:2306:13: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:2306:10: warning: unused variable 'eg' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c: In function 'input_file_eg': BUILDSTDERR: DosMain.c:2699:9: warning: suggest parentheses around assignment used as truth value [-Wparentheses] BUILDSTDERR: if (fp=input_find("FermiEps || (cal_partial_charge && (FermiEps calculate Voronoi charges\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:52:80: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid==Host_ID) printf("\n calculate Voronoi charges\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Charge.c:46:20: warning: variable 'Nprocs' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int OMPID,Nthrds,Nprocs; BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Charge.c:43:15: warning: unused variable 'request' [-Wunused-variable] BUILDSTDERR: MPI_Request request; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: Voronoi_Charge.c:42:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Charge.c:40:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: Voronoi_Charge.c:37:21: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,tag=999,ID; BUILDSTDERR: ^~~ BUILDSTDERR: Voronoi_Charge.c:26:25: warning: unused variable 'fw' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:26:22: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:26:19: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:26:16: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,fw; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:25:24: warning: unused variable 'Nh' [-Wunused-variable] BUILDSTDERR: int Cwan,GNc,GRc,Nog,Nh,MN,spin; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Charge.c:25:7: warning: variable 'Cwan' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int Cwan,GNc,GRc,Nog,Nh,MN,spin; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Charge.c:24:30: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: Voronoi_Charge.c:24:25: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Charge.c:24:19: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: Voronoi_Charge.c:23:10: warning: variable 'time0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from Voronoi_Charge.c:16: BUILDSTDERR: Voronoi_Charge.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Voronoi_Charge.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Voronoi_Charge.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Voronoi_Charge.c: In function 'Voronoi_Charge': BUILDSTDERR: Voronoi_Charge.c:221:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_VC,"%s%s.VC",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from Voronoi_Charge.c:12: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 4 and 1002 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Voronoi_Orbital_Moment.c BUILDSTDERR: Voronoi_Orbital_Moment.c: In function 'Voronoi_Orbital_Moment': BUILDSTDERR: Voronoi_Orbital_Moment.c:59:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid==Host_ID) printf("\n calculate Voronoi orbital moment\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Orbital_Moment.c:59:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid==Host_ID) printf("\n calculate Voronoi orbital moment\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:38:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:37:8: warning: unused variable 'file_VOM' [-Wunused-variable] BUILDSTDERR: char file_VOM[YOUSO10]; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:36:9: warning: unused variable 'fp_VOM' [-Wunused-variable] BUILDSTDERR: FILE *fp_VOM; BUILDSTDERR: ^~~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:34:19: warning: variable 'MR_AN' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int hR_AN,hL_AN,MR_AN,ML_AN,kl,m,GL_AN,GR_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c: In function 'Orbitals_on_Grid': BUILDSTDERR: Voronoi_Orbital_Moment.c:686:32: warning: variable 'Rmin' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double siQ,coQ,siP,coP,Q,P,R,Rmin; BUILDSTDERR: ^~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c:683:20: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int i,L0,Mul0,M0,i1,L; BUILDSTDERR: ^~ BUILDSTDERR: Voronoi_Orbital_Moment.c:683:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,L0,Mul0,M0,i1,L; BUILDSTDERR: ^ BUILDSTDERR: In file included from Voronoi_Orbital_Moment.c:18: BUILDSTDERR: Voronoi_Orbital_Moment.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Voronoi_Orbital_Moment.c:18: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Voronoi_Orbital_Moment.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Voronoi_Orbital_Moment.c: In function 'Voronoi_Orbital_Moment': BUILDSTDERR: Voronoi_Orbital_Moment.c:379:2: warning: 'tmp_array' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(tmp_array); /* freeing of array */ BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: Set_ProExpn_VNA.c: In function 'Set_VNA2._omp_fn.4': BUILDSTDERR: Set_ProExpn_VNA.c:2866:14: warning: 'vsbi' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: tsb[n+1] = vsbi; BUILDSTDERR: ~~~~~~~~~^~~~~~ BUILDSTDERR: Set_ProExpn_VNA.c:2815:30: note: 'vsbi' was declared here BUILDSTDERR: double invx,vsb0,vsb1,vsb2,vsbi; BUILDSTDERR: ^~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Fuzzy_Weight.c BUILDSTDERR: Fuzzy_Weight.c: In function 'Fuzzy_Weight': BUILDSTDERR: Fuzzy_Weight.c:28:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,p_AN,Gp_AN,Gs_AN,s_AN,Rnp,Rns; BUILDSTDERR: ^ BUILDSTDERR: Fuzzy_Weight.c:28:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,p_AN,Gp_AN,Gs_AN,s_AN,Rnp,Rns; BUILDSTDERR: ^ BUILDSTDERR: Fuzzy_Weight.c: In function 'Smear': BUILDSTDERR: Fuzzy_Weight.c:98:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: Fuzzy_Weight.c:98:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from Fuzzy_Weight.c:17: BUILDSTDERR: Fuzzy_Weight.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Fuzzy_Weight.c:17: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Fuzzy_Weight.c:17: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c dampingF.c BUILDSTDERR: dampingF.c: In function 'dampingF': BUILDSTDERR: dampingF.c:23:16: warning: variable 'c2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: dampingF.c:23:13: warning: variable 'c1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: dampingF.c:23:10: warning: variable 'c0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: dampingF.c:22:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: dampingF.c:22:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: dampingF.c:22:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from dampingF.c:16: BUILDSTDERR: dampingF.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from dampingF.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from dampingF.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c deri_dampingF.c BUILDSTDERR: deri_dampingF.c: In function 'deri_dampingF': BUILDSTDERR: deri_dampingF.c:26:22: warning: variable 'r5' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double r0,r2,r3,r4,r5,f; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:24:16: warning: variable 'c2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:24:13: warning: variable 'c1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:24:10: warning: variable 'c0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c0,c1,c2,c3,c4,c5; BUILDSTDERR: ^~ BUILDSTDERR: deri_dampingF.c:23:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: deri_dampingF.c:23:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: deri_dampingF.c:23:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from deri_dampingF.c:17: BUILDSTDERR: deri_dampingF.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from deri_dampingF.c:17: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from deri_dampingF.c:17: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Spherical_Bessel.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c iterout.c BUILDSTDERR: Spherical_Bessel.c: In function 'Spherical_Bessel': BUILDSTDERR: Spherical_Bessel.c:27:40: warning: variable 'ix2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double j0,j1,j0p,j1p,sf,tmp,si,co,ix,ix2; BUILDSTDERR: ^~~ BUILDSTDERR: Spherical_Bessel.c:27:20: warning: unused variable 'j1p' [-Wunused-variable] BUILDSTDERR: double j0,j1,j0p,j1p,sf,tmp,si,co,ix,ix2; BUILDSTDERR: ^~~ BUILDSTDERR: Spherical_Bessel.c:27:16: warning: unused variable 'j0p' [-Wunused-variable] BUILDSTDERR: double j0,j1,j0p,j1p,sf,tmp,si,co,ix,ix2; BUILDSTDERR: ^~~ BUILDSTDERR: Spherical_Bessel.c:24:16: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int m,n,nmax,p; BUILDSTDERR: ^ BUILDSTDERR: In file included from Spherical_Bessel.c:16: BUILDSTDERR: At top level: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Spherical_Bessel.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: iterout.c: In function 'iterout': BUILDSTDERR: iterout.c:26:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: iterout.c:21:43: warning: unused variable 'zido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout.c:21:38: warning: unused variable 'yido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout.c:21:33: warning: unused variable 'xido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout.c:21:30: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:27: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:24: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:21: warning: unused variable 'aa' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout.c:21:13: warning: unused variable 'itermax' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: iterout.c:21:10: warning: unused variable 'dt' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: In file included from iterout.c:16: BUILDSTDERR: iterout.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from iterout.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from iterout.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: iterout.c: In function 'iterout': BUILDSTDERR: iterout.c:170:23: warning: '__builtin___sprintf_chk' may write a terminating nul past the end of the destination [-Wformat-overflow=] BUILDSTDERR: sprintf(fileXYZ,"%s2",fileSDRC); BUILDSTDERR: ^ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from iterout.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 501 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c iterout_md.c BUILDSTDERR: iterout_md.c: In function 'iterout_md': BUILDSTDERR: iterout_md.c:21:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: iterout_md.c:19:43: warning: unused variable 'zido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout_md.c:19:38: warning: unused variable 'yido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout_md.c:19:33: warning: unused variable 'xido' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~ BUILDSTDERR: iterout_md.c:19:30: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:27: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:24: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:21: warning: unused variable 'aa' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:19:13: warning: unused variable 'itermax' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: iterout_md.c:19:10: warning: unused variable 'dt' [-Wunused-variable] BUILDSTDERR: double dt,itermax,aa,dx,dy,dz,xido,yido,zido; BUILDSTDERR: ^~ BUILDSTDERR: iterout_md.c:18:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: iterout_md.c:18:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: iterout_md.c:18:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: In file included from iterout_md.c:14: BUILDSTDERR: iterout_md.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from iterout_md.c:14: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from iterout_md.c:14: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: iterout_md.c: In function 'iterout_md': BUILDSTDERR: iterout_md.c:73:26: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileEvsLC,"%s%s.EvsLC",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from iterout_md.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 7 and 1005 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: iterout_md.c:99:26: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileEvsLC,"%s%s.DF",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from iterout_md.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 4 and 1002 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Allocate_Arrays.c BUILDSTDERR: Allocate_Arrays.c: In function 'Allocate_Arrays': BUILDSTDERR: Allocate_Arrays.c:8:32: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,L,ct_AN,wan,p,l,al,so,spin; BUILDSTDERR: ^~ BUILDSTDERR: Allocate_Arrays.c:8:24: warning: unused variable 'wan' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,L,ct_AN,wan,p,l,al,so,spin; BUILDSTDERR: ^~~ BUILDSTDERR: Allocate_Arrays.c:8:13: warning: unused variable 'ii' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,L,ct_AN,wan,p,l,al,so,spin; BUILDSTDERR: ^~ BUILDSTDERR: In file included from Allocate_Arrays.c:4: BUILDSTDERR: Allocate_Arrays.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Free_Arrays.c BUILDSTDERR: In file included from Allocate_Arrays.c:4: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Allocate_Arrays.c:4: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Free_Arrays.c: In function 'array0': BUILDSTDERR: Free_Arrays.c:28:20: warning: unused variable 'NUM' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:28:14: warning: unused variable 'vsize' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:28:12: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^ BUILDSTDERR: Free_Arrays.c:28:7: warning: unused variable 'Anum' [-Wunused-variable] BUILDSTDERR: int Anum,p,vsize,NUM; BUILDSTDERR: ^~~~ BUILDSTDERR: Free_Arrays.c:27:39: warning: variable 'NO1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int num,n2,wanA,wanB,Gi,MAnum,Mh_AN,NO1; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:27:33: warning: variable 'Mh_AN' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int num,n2,wanA,wanB,Gi,MAnum,Mh_AN,NO1; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:27:27: warning: unused variable 'MAnum' [-Wunused-variable] BUILDSTDERR: int num,n2,wanA,wanB,Gi,MAnum,Mh_AN,NO1; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:26:35: warning: unused variable 'nc' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~ BUILDSTDERR: Free_Arrays.c:26:32: warning: unused variable 'ns' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~ BUILDSTDERR: Free_Arrays.c:26:28: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:26:18: warning: unused variable 'Qwan' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~~ BUILDSTDERR: Free_Arrays.c:26:12: warning: unused variable 'Gq_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~~~ BUILDSTDERR: Free_Arrays.c:26:7: warning: unused variable 'q_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Gq_AN,Qwan,Lmax,spe,ns,nc,spin,fan; BUILDSTDERR: ^~~~ BUILDSTDERR: Free_Arrays.c:24:37: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,l,L,n,ct_AN,h_AN,wan,al,tno,Cwan,Nc; BUILDSTDERR: ^~ BUILDSTDERR: Free_Arrays.c:24:33: warning: variable 'wan' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i,j,k,ii,l,L,n,ct_AN,h_AN,wan,al,tno,Cwan,Nc; BUILDSTDERR: ^~~ BUILDSTDERR: Free_Arrays.c:24:13: warning: unused variable 'ii' [-Wunused-variable] BUILDSTDERR: int i,j,k,ii,l,L,n,ct_AN,h_AN,wan,al,tno,Cwan,Nc; BUILDSTDERR: ^~ BUILDSTDERR: In file included from Free_Arrays.c:4: BUILDSTDERR: Free_Arrays.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Free_Arrays.c:4: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Free_Arrays.c:4: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Init_List_YOUSO.c BUILDSTDERR: In file included from Init_List_YOUSO.c:3: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Init_List_YOUSO.c:3: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Init_List_YOUSO.c:3: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c outputfile1.c BUILDSTDERR: outputfile1.c: In function 'outputfile1': BUILDSTDERR: outputfile1.c:14:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: In file included from outputfile1.c:5: BUILDSTDERR: outputfile1.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from outputfile1.c:5: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from outputfile1.c:5: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c malloc_multidimarray.c BUILDSTDERR: In file included from malloc_multidimarray.c:5: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from malloc_multidimarray.c:5: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from malloc_multidimarray.c:5: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c PrintMemory.c BUILDSTDERR: In file included from PrintMemory.c:16: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from PrintMemory.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from PrintMemory.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c PrintMemory_Fix.c BUILDSTDERR: In file included from PrintMemory_Fix.c:16: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from PrintMemory_Fix.c:16: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from PrintMemory_Fix.c:16: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c dtime.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c OutData.c BUILDSTDERR: OutData.c: In function 'OutData': BUILDSTDERR: OutData.c:66:8: warning: unused variable 'buf2' [-Wunused-variable] BUILDSTDERR: char buf2[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:65:8: warning: unused variable 'buf1' [-Wunused-variable] BUILDSTDERR: char buf1[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:64:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:63:14: warning: unused variable 'fp2' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:63:9: warning: unused variable 'fp1' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:62:8: warning: unused variable 'fname2' [-Wunused-variable] BUILDSTDERR: char fname2[300]; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:61:8: warning: unused variable 'fname1' [-Wunused-variable] BUILDSTDERR: char fname1[300]; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:59:11: warning: unused variable 'fd' [-Wunused-variable] BUILDSTDERR: int i,c,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:59:9: warning: unused variable 'c' [-Wunused-variable] BUILDSTDERR: int i,c,fd; BUILDSTDERR: ^ BUILDSTDERR: OutData.c: In function 'out_density': BUILDSTDERR: OutData.c:216:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:204:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:204:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:202:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:202:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:202:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:200:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:200:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:200:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Vhart': BUILDSTDERR: OutData.c:449:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:445:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:445:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:445:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:445:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:445:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_Vna': BUILDSTDERR: OutData.c:482:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:478:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:478:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:478:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:478:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:478:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_Vxc': BUILDSTDERR: OutData.c:512:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:512:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:512:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_Veff': BUILDSTDERR: OutData.c:679:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:679:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:679:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_grid': BUILDSTDERR: OutData.c:846:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c: In function 'out_atomxyz': BUILDSTDERR: OutData.c:898:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:894:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:894:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_atomxsf': BUILDSTDERR: OutData.c:943:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:939:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:939:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:939:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,fd; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'out_coordinates_bulk': BUILDSTDERR: OutData.c:996:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData.c:1061:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1055:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Cluster_NBO': BUILDSTDERR: OutData.c:1248:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1246:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1234:35: warning: unused variable 'so' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:32: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:29: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:26: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1234:20: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,GNs,spe,i,i1,i2,i3,so,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1233:36: warning: unused variable 'num' [-Wunused-variable] BUILDSTDERR: int Mc_AN,Gc_AN,Cwan,NO0,spin,Nc,num,tnum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Cluster_NC_MO': BUILDSTDERR: OutData.c:1656:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1654:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1649:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1649:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1649:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1649:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,fd; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c: In function 'out_Bulk_MO': BUILDSTDERR: OutData.c:1876:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:30: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:27: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:24: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1867:22: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:1867:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1866:28: warning: unused variable 'Nh' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:1866:24: warning: unused variable 'RnG' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1866:20: warning: unused variable 'Nog' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1866:7: warning: unused variable 'NO1' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1865:34: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:1865:30: warning: unused variable 'Rnh' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1865:24: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:1865:19: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:1865:13: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'Print_CubeData': BUILDSTDERR: OutData.c:2203:14: warning: unused variable 'fp2' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:2203:9: warning: unused variable 'fp1' [-Wunused-variable] BUILDSTDERR: FILE *fp1,*fp2; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:2202:35: warning: unused variable 'operate2' [-Wunused-variable] BUILDSTDERR: char operate[300],operate1[300],operate2[300]; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:2202:21: warning: unused variable 'operate1' [-Wunused-variable] BUILDSTDERR: char operate[300],operate1[300],operate2[300]; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:2201:40: warning: unused variable 'c' [-Wunused-variable] BUILDSTDERR: int fd,myid,numprocs,ID,BN_AB,n3,cmd,c; BUILDSTDERR: ^ BUILDSTDERR: OutData.c: In function 'Print_VectorData': BUILDSTDERR: OutData.c:2331:15: warning: unused variable 'request' [-Wunused-variable] BUILDSTDERR: MPI_Request request; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData.c:2330:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:2322:22: warning: unused variable 'c' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:2322:19: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:2322:16: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:2322:13: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,c,GridNum,fd; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c: In function 'out_Partial_Charge_Density': BUILDSTDERR: OutData.c:3128:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3122:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3122:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3121:25: warning: unused variable 'oden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3121:20: warning: unused variable 'sden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3121:14: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3121:10: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3120:22: warning: unused variable 'vz' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3120:19: warning: unused variable 'vy' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3120:16: warning: unused variable 'vx' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3120:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3120:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3120:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3118:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3118:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3118:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c: In function 'Set_Partial_Density_Grid': BUILDSTDERR: OutData.c:3246:20: warning: variable 'Nprocs' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int OMPID,Nthrds,Nprocs; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3230:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3230:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3229:16: warning: unused variable 'Cxyz' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3229:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3229:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3229:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3228:34: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3228:30: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3228:25: warning: unused variable 'Im12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3228:20: warning: unused variable 'Re12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3228:15: warning: unused variable 'Re22' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3228:10: warning: unused variable 'Re11' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3227:31: warning: unused variable 'cot' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:27: warning: unused variable 'sit' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:23: warning: unused variable 'sip' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:19: warning: unused variable 'cop' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3227:16: warning: unused variable 'd3' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3227:13: warning: unused variable 'd2' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3227:10: warning: unused variable 'd1' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3223:32: warning: unused variable 'tot_den' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData.c:3223:28: warning: unused variable 'sk3' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3223:24: warning: unused variable 'sk2' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3223:20: warning: unused variable 'sk1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3223:15: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3222:26: warning: unused variable 'GNc' [-Wunused-variable] BUILDSTDERR: unsigned long long int GNc,GN; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3219:18: warning: variable 'Rnh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int h_AN,Gh_AN,Rnh,spin,Nc,GRc,Nh,Nog; BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:3218:10: warning: unused variable 'time0' [-Wunused-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3217:23: warning: unused variable 'top_num' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData.c:3217:16: warning: unused variable 'My_Max' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData.c:3217:7: warning: unused variable 'Max_Size' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:3216:36: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3216:34: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3216:23: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3216:20: warning: unused variable 'Rn' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:22: warning: unused variable 'k3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:19: warning: unused variable 'k2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:16: warning: unused variable 'k1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:13: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:10: warning: unused variable 'n2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3215:7: warning: unused variable 'n1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3214:25: warning: unused variable 'MN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,Mc_AN,Mh_AN,MN; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3213:29: warning: unused variable 'size2' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3213:23: warning: unused variable 'size1' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:3213:21: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^ BUILDSTDERR: OutData.c:3213:18: warning: unused variable 'M0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3213:13: warning: unused variable 'Mul0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData.c:3213:10: warning: unused variable 'L0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData.c:3213:7: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: In file included from OutData.c:23: BUILDSTDERR: OutData.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'OutData': BUILDSTDERR: OutData.c:173:9: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:185:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'Print_CubeData': BUILDSTDERR: OutData.c:2262:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2268:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'Print_VectorData': BUILDSTDERR: OutData.c:2433:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2439:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: At top level: BUILDSTDERR: OutData.c:937:13: warning: 'out_atomxsf' defined but not used [-Wunused-function] BUILDSTDERR: static void out_atomxsf() BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: In file included from OutData.c:23: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from OutData.c:23: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'Print_CubeData': BUILDSTDERR: OutData.c:2260:26: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s0 > %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,filepath,filename,fext); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 9 or more bytes (assuming 2005) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2265:28: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,ID, BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2265:23: note: directive argument in the range [1, 2147483647] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 10 or more bytes (assuming 2015) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2309:24: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:2309:23: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 2 or more bytes (assuming 1009) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'out_density': BUILDSTDERR: OutData.c:232:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file11,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:254:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:283:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:298:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file3,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:313:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file4,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:333:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file10,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2431:26: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s0 > %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,filepath,filename,fext); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 3003 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2436:28: warning: '%s' directive writing up to 499 bytes into a region of size 296 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,fext,ID, BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2436:23: note: directive argument in the range [1, 2147483647] BUILDSTDERR: sprintf(operate,"cat %s%s%s%i >> %s%s%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 3013 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2444:24: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:2444:23: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate,"%s%s%s%i",filepath,filename,fext,ID); BUILDSTDERR: ^~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1508 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:350:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file9); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:394:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file12); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'out_OrbOpt': BUILDSTDERR: OutData.c:2489:21: warning: '/PAO/' directive writing 5 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(DirPAO,"%s/PAO/",DFT_DATA_PATH); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 505 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2833:30: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s_%i%s",filepath,SpeName[wan],Gc_AN,ExtPAO); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 3 or more bytes (assuming 1001) into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c OutData_Binary.c BUILDSTDERR: OutData_Binary.c: In function 'OutData_Binary': BUILDSTDERR: OutData_Binary.c:59:8: warning: unused variable 'buf2' [-Wunused-variable] BUILDSTDERR: char buf2[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:58:8: warning: unused variable 'buf1' [-Wunused-variable] BUILDSTDERR: char buf1[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:57:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_density': BUILDSTDERR: OutData_Binary.c:202:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:201:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:190:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:190:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:188:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:188:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:188:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:186:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:186:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:186:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Vhart': BUILDSTDERR: OutData_Binary.c:462:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:461:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:457:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:457:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:457:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:457:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:457:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:457:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Vna': BUILDSTDERR: OutData_Binary.c:501:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:500:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:496:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:496:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:496:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:496:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:496:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:496:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Vxc': BUILDSTDERR: OutData_Binary.c:544:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:536:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:536:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:536:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Veff': BUILDSTDERR: OutData_Binary.c:723:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:714:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:714:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:714:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k,digit; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_grid': BUILDSTDERR: OutData_Binary.c:894:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:891:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:889:7: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int N,n1,n2,n3,i; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c: In function 'out_atomxyz': BUILDSTDERR: OutData_Binary.c:964:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:962:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:960:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:960:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:960:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_atomxsf': BUILDSTDERR: OutData_Binary.c:1008:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1006:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1004:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:1004:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1004:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1004:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_coordinates_bulk': BUILDSTDERR: OutData_Binary.c:1060:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1058:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData.c: In function 'out_Cluster_NBO': BUILDSTDERR: OutData.c:1441:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.NHO%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1441:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.NHO%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1441:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 13 and 1029 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1519:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.NBO-b%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1519:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.NBO-b%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1519:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 15 and 1031 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1592:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.NBO-a%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1592:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.NBO-a%i_%i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1592:27: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 15 and 1031 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1125:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1123:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1119:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1119:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1119:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1119:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3,so; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_NC_MO': BUILDSTDERR: OutData_Binary.c:1304:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1302:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1298:28: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1298:25: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1298:22: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1298:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,i1,i2,i3; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Bulk_MO': BUILDSTDERR: OutData_Binary.c:1511:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1509:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1502:30: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1502:27: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1502:24: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1502:22: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:1502:16: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1501:28: warning: unused variable 'Nh' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1501:24: warning: unused variable 'RnG' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1501:20: warning: unused variable 'Nog' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1501:7: warning: unused variable 'NO1' [-Wunused-variable] BUILDSTDERR: int NO1,l1,l2,l3,Nog,RnG,Nh,Rn; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1500:34: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:1500:30: warning: unused variable 'Rnh' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1500:24: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:1500:19: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:1500:13: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int kloop,Mh_AN,h_AN,Gh_AN,Rnh,Hwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData.c:1236:24: warning: 'MO_Grid_tmp2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: double *MO_Grid_tmp,*MO_Grid_tmp2; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: OutData.c:1532:15: warning: 'SCell_Atom' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: Print_CubeTitle2(fp,SCell_GridN_A,SCell_GridN_B,SCell_GridN_C, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCell_Origin,TNumAtom_SCell,SCell_Atom); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1243:41: warning: 'GridList_L2SCell' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int TNumGrid_SCell,SCell_Grid_Origin,*GridList_L2SCell,*SCell_Atom; BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1243:7: warning: 'TNumGrid_SCell' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int TNumGrid_SCell,SCell_Grid_Origin,*GridList_L2SCell,*SCell_Atom; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1532:15: warning: 'TNumAtom_SCell' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: Print_CubeTitle2(fp,SCell_GridN_A,SCell_GridN_B,SCell_GridN_C, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCell_Origin,TNumAtom_SCell,SCell_Atom); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1456:15: warning: 'SCell_GridN_C' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: Print_CubeData_MO2(fp,MO_Grid,NULL,NULL,SCell_GridN_A,SCell_GridN_B,SCell_GridN_C); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1456:15: warning: 'SCell_GridN_B' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: OutData.c:1456:15: warning: 'SCell_GridN_A' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: OutData_Binary.c: In function 'Print_CubeData': BUILDSTDERR: OutData_Binary.c:1860:3: warning: implicit declaration of function 'fsync' [-Wimplicit-function-declaration] BUILDSTDERR: fsync(fd); BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:1809:33: warning: unused variable 'cmd' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID,BN_AB,n3,cmd,digit,fd,c; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1809:30: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID,BN_AB,n3,cmd,digit,fd,c; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c: In function 'Print_VectorData': BUILDSTDERR: OutData_Binary.c:1936:15: warning: unused variable 'request' [-Wunused-variable] BUILDSTDERR: MPI_Request request; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c:1935:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:1923:19: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,n,c,GridNum; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1923:16: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,n,c,GridNum; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:1923:13: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int i,j,k,i1,i2,i3,n,c,GridNum; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c: In function 'out_Partial_Charge_Density': BUILDSTDERR: OutData_Binary.c:2692:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2691:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2685:35: warning: unused variable 'zmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:30: warning: unused variable 'ymax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:25: warning: unused variable 'xmax' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:20: warning: unused variable 'zmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:15: warning: unused variable 'ymin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2685:10: warning: unused variable 'xmin' [-Wunused-variable] BUILDSTDERR: double xmin,ymin,zmin,xmax,ymax,zmax; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2684:25: warning: unused variable 'oden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2684:20: warning: unused variable 'sden' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2684:14: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2684:10: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double phi,theta,sden,oden; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2683:22: warning: unused variable 'vz' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2683:19: warning: unused variable 'vy' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2683:16: warning: unused variable 'vx' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2683:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2683:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2683:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,vx,vy,vz; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:33: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:31: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:29: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2681:26: warning: unused variable 'GN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:23: warning: unused variable 'i3' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:20: warning: unused variable 'i2' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:17: warning: unused variable 'i1' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2681:13: warning: unused variable 'spe' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2681:7: warning: unused variable 'ct_AN' [-Wunused-variable] BUILDSTDERR: int ct_AN,spe,i1,i2,i3,GN,i,j,k; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Set_Partial_Density_Grid': BUILDSTDERR: OutData_Binary.c:2823:20: warning: variable 'Nprocs' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int OMPID,Nthrds,Nprocs; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2807:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2807:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2806:16: warning: unused variable 'Cxyz' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2806:14: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2806:12: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2806:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x,y,z,Cxyz[4]; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2805:34: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2805:30: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2805:25: warning: unused variable 'Im12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2805:20: warning: unused variable 'Re12' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2805:15: warning: unused variable 'Re22' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2805:10: warning: unused variable 'Re11' [-Wunused-variable] BUILDSTDERR: double Re11,Re22,Re12,Im12,phi,theta; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2804:31: warning: unused variable 'cot' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:27: warning: unused variable 'sit' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:23: warning: unused variable 'sip' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:19: warning: unused variable 'cop' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2804:16: warning: unused variable 'd3' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2804:13: warning: unused variable 'd2' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2804:10: warning: unused variable 'd1' [-Wunused-variable] BUILDSTDERR: double d1,d2,d3,cop,sip,sit,cot; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2800:32: warning: unused variable 'tot_den' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c:2800:28: warning: unused variable 'sk3' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2800:24: warning: unused variable 'sk2' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2800:20: warning: unused variable 'sk1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2800:15: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double tmp0,tmp1,sk1,sk2,sk3,tot_den,sum; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2799:26: warning: unused variable 'GNc' [-Wunused-variable] BUILDSTDERR: unsigned long long int GNc,GN; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2796:18: warning: variable 'Rnh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int h_AN,Gh_AN,Rnh,spin,Nc,GRc,Nh,Nog; BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:2795:10: warning: unused variable 'time0' [-Wunused-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2794:23: warning: unused variable 'top_num' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c:2794:16: warning: unused variable 'My_Max' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~ BUILDSTDERR: OutData_Binary.c:2794:7: warning: unused variable 'Max_Size' [-Wunused-variable] BUILDSTDERR: int Max_Size,My_Max,top_num; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData_Binary.c:2793:36: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2793:34: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2793:23: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2793:20: warning: unused variable 'Rn' [-Wunused-variable] BUILDSTDERR: int Cwan,NO0,NO1,Rn,N,Hwan,i,j,k,n; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:22: warning: unused variable 'k3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:19: warning: unused variable 'k2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:16: warning: unused variable 'k1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:13: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:10: warning: unused variable 'n2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2792:7: warning: unused variable 'n1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,k1,k2,k3,N3[4]; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2791:25: warning: unused variable 'MN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,Mc_AN,Mh_AN,MN; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2790:29: warning: unused variable 'size2' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2790:23: warning: unused variable 'size1' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~~ BUILDSTDERR: OutData_Binary.c:2790:21: warning: unused variable 'p' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^ BUILDSTDERR: OutData_Binary.c:2790:18: warning: unused variable 'M0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2790:13: warning: unused variable 'Mul0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~~~ BUILDSTDERR: OutData_Binary.c:2790:10: warning: unused variable 'L0' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: OutData_Binary.c:2790:7: warning: unused variable 'al' [-Wunused-variable] BUILDSTDERR: int al,L0,Mul0,M0,p,size1,size2; BUILDSTDERR: ^~ BUILDSTDERR: In file included from OutData_Binary.c:20: BUILDSTDERR: OutData_Binary.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'OutData_Binary': BUILDSTDERR: OutData_Binary.c:130:4: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:133:4: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:137:2: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Print_CubeData': BUILDSTDERR: OutData_Binary.c:1875:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1912:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Print_VectorData': BUILDSTDERR: OutData_Binary.c:2061:7: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2097:5: warning: ignoring return value of 'system', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: system(operate); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: At top level: BUILDSTDERR: OutData_Binary.c:2637:13: warning: 'Print_CubeData_MO' defined but not used [-Wunused-function] BUILDSTDERR: static void Print_CubeData_MO(FILE *fp, double *data, double *data1,char *op) BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1002:13: warning: 'out_atomxsf' defined but not used [-Wunused-function] BUILDSTDERR: static void out_atomxsf() BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: In file included from OutData_Binary.c:20: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from OutData_Binary.c:20: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData.c:1126:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1126:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1126:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1032 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1124:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1124:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1124:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1032 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1194:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:1194:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1194:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1032 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c: In function 'OutData': BUILDSTDERR: OutData.c:803:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:819:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:461:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:494:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:636:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:652:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1965:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1965:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1965:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:1965:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1983:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1983:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1983:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:1983:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2070:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2070:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2070:20: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:2070:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2089:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:2089:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:2089:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData.c:2089:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 18 and 1034 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1722:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1722:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1722:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1740:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1740:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1740:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1804:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1804:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1804:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1822:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData.c:1822:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:1822:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 16 and 1023 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:3149:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file1,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:3178:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file2,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:3193:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s%i",filepath,filename,file3,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 2 and 1509 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:171:32: warning: '%s' directive writing up to 499 bytes into a region of size 496 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s.Dos.vec%i >> tmp1",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:171:27: note: directive argument in the range [1, 2147483647] BUILDSTDERR: sprintf(operate,"cat %s%s.Dos.vec%i >> tmp1",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1029 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:169:32: warning: '%s' directive writing up to 499 bytes into a region of size 496 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"cat %s%s.Dos.vec%i > tmp1",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1020 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:175:28: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData.c:175:25: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 1017 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:184:32: warning: '%s' directive writing up to 499 bytes into a region of size 492 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"mv tmp1 %s%s.Dos.vec",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1015 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'Print_CubeData': BUILDSTDERR: OutData_Binary.c:1883:25: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 1 or more bytes (assuming 999) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1894:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 1 or more bytes (assuming 999) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1898:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1898:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 3 or more bytes (assuming 2147484647) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1911:25: warning: '%s' directive writing up to 499 bytes into a region of size 297 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"rm %s%s%s_*",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 6 or more bytes (assuming 1004) into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData.c:680:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:513:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData.c:1912:5: warning: 'spinmax' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: for (spin=0; spin<=spinmax; spin++){ BUILDSTDERR: ^~~ BUILDSTDERR: OutData.c:1867:33: note: 'spinmax' was declared here BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_OrbOpt': BUILDSTDERR: OutData_Binary.c:2137:21: warning: '/PAO/' directive writing 5 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(DirPAO,"%s/PAO/",DFT_DATA_PATH); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 505 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2478:30: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s_%i%s",filepath,SpeName[wan],Gc_AN,ExtPAO); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output 3 or more bytes (assuming 1001) into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_NC_MO': BUILDSTDERR: OutData_Binary.c:1362:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1362:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1362:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1380:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1380:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1380:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1439:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1439:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1439:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1458:19: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1458:16: note: directive argument in the range [0, 2] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1458:16: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1027 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c init_alloc_first.c BUILDSTDERR: In file included from init_alloc_first.c:15: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from init_alloc_first.c:15: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from init_alloc_first.c:15: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c File_CntCoes.c BUILDSTDERR: OutData_Binary.c: In function 'out_Cluster_MO': BUILDSTDERR: OutData_Binary.c:1190:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1190:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_i%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1190:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1036 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1188:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1188:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1188:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1036 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1259:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1259:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_r%s",filepath,filename,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1259:22: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 20 and 1036 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Input_CntCoes': BUILDSTDERR: File_CntCoes.c:50:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: File_CntCoes.c: In function 'Output_CntCoes': BUILDSTDERR: File_CntCoes.c:112:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: In file included from File_CntCoes.c:18: BUILDSTDERR: File_CntCoes.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Input_CntCoes': BUILDSTDERR: File_CntCoes.c:74:6: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(tmp0,sizeof(double),List_YOUSO[7]*List_YOUSO[24],fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from File_CntCoes.c:18: BUILDSTDERR: At top level: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from File_CntCoes.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Output_CntCoes': BUILDSTDERR: File_CntCoes.c:125:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileCC,"%s%s.ccs%i",filepath,filename,Gc_AN); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from File_CntCoes.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 1014 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: File_CntCoes.c: In function 'Input_CntCoes': BUILDSTDERR: File_CntCoes.c:66:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileCC,"%s%s.ccs%i",filepath,filename,Gc_AN); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from File_CntCoes.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 1014 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'out_density': BUILDSTDERR: OutData_Binary.c:219:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file11,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:245:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:278:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:297:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file3,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:316:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file4,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:340:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file10,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2069:25: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2080:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate1,"%s%s%s",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2084:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2084:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(operate2,"%s%s%s_%0*i",filepath,filename,fext,digit,ID); BUILDSTDERR: ^~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2096:25: warning: '%s' directive writing up to 499 bytes into a region of size 297 [-Wformat-overflow=] BUILDSTDERR: sprintf(operate,"rm %s%s%s_*",filepath,filename,fext); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 6 and 1503 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:362:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file9); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:406:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s",filepath,filename,file12); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 1 and 1498 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c SCF2File.c BUILDSTDERR: SCF2File.c: In function 'SCF2File': BUILDSTDERR: SCF2File.c:42:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:40:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:38:8: warning: unused variable 'operate' [-Wunused-variable] BUILDSTDERR: char operate[300]; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c: In function 'Output': BUILDSTDERR: SCF2File.c:297:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:291:24: warning: unused variable 'Rnq' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:291:18: warning: unused variable 'Gq_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:291:12: warning: unused variable 'Mq_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:291:7: warning: unused variable 'q_AN' [-Wunused-variable] BUILDSTDERR: int q_AN,Mq_AN,Gq_AN,Rnq; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:290:32: warning: unused variable 'Qwan' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:290:28: warning: unused variable 'NO1' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:290:24: warning: unused variable 'NO0' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:290:19: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:290:15: warning: unused variable 'Rnh' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:290:9: warning: unused variable 'Mh_AN' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:290:7: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int k,Mh_AN,Rnh,Hwan,NO0,NO1,Qwan; BUILDSTDERR: ^ BUILDSTDERR: SCF2File.c:288:34: warning: unused variable 'can' [-Wunused-variable] BUILDSTDERR: int Gc_AN,Mc_AN,ct_AN,h_AN,i,j,can,Gh_AN; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c: In function 'Calc_OLPpo': BUILDSTDERR: SCF2File.c:884:29: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,tag=999,ID; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:884:21: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,tag=999,ID; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:883:18: warning: unused variable 'TEtime3' [-Wunused-variable] BUILDSTDERR: double TStime3,TEtime3; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:883:10: warning: unused variable 'TStime3' [-Wunused-variable] BUILDSTDERR: double TStime3,TEtime3; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:882:18: warning: unused variable 'TEtime2' [-Wunused-variable] BUILDSTDERR: double TStime2,TEtime2; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:882:10: warning: unused variable 'TStime2' [-Wunused-variable] BUILDSTDERR: double TStime2,TEtime2; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:881:18: warning: unused variable 'TEtime1' [-Wunused-variable] BUILDSTDERR: double TStime1,TEtime1; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:881:10: warning: unused variable 'TStime1' [-Wunused-variable] BUILDSTDERR: double TStime1,TEtime1; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:880:18: warning: unused variable 'TEtime0' [-Wunused-variable] BUILDSTDERR: double TStime0,TEtime0; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:880:10: warning: unused variable 'TStime0' [-Wunused-variable] BUILDSTDERR: double TStime0,TEtime0; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:879:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: SCF2File.c:879:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: SCF2File.c:867:19: warning: unused variable 'S_coordinate' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: SCF2File.c:867:16: warning: unused variable 'zo' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:867:13: warning: unused variable 'yo' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:867:10: warning: unused variable 'xo' [-Wunused-variable] BUILDSTDERR: double xo,yo,zo,S_coordinate[3]; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:866:37: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:866:32: warning: unused variable 'tmp0' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:866:28: warning: unused variable 'sum' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:866:24: warning: unused variable 'phi' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:866:18: warning: unused variable 'theta' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:866:16: warning: unused variable 'r' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^ BUILDSTDERR: SCF2File.c:866:13: warning: unused variable 'dv' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:866:10: warning: unused variable 'bc' [-Wunused-variable] BUILDSTDERR: double bc,dv,r,theta,phi,sum,tmp0,tmp1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:865:22: warning: unused variable 'dz' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,tmpx,tmpy,tmpz; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:865:19: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,tmpx,tmpy,tmpz; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:865:16: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double x,y,z,dx,dy,dz,tmpx,tmpy,tmpz; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:864:28: warning: unused variable 'XC_P_switch' [-Wunused-variable] BUILDSTDERR: int Nc,GNc,GRc,Nog,Nh,MN,XC_P_switch; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: SCF2File.c:864:25: warning: unused variable 'MN' [-Wunused-variable] BUILDSTDERR: int Nc,GNc,GRc,Nog,Nh,MN,XC_P_switch; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:35: warning: unused variable 'M1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:30: warning: unused variable 'Mul1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:863:27: warning: unused variable 'L1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:24: warning: unused variable 'M0' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:19: warning: unused variable 'Mul0' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:863:16: warning: unused variable 'L0' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:13: warning: unused variable 'n3' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:10: warning: unused variable 'n2' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:863:7: warning: unused variable 'n1' [-Wunused-variable] BUILDSTDERR: int n1,n2,n3,L0,Mul0,M0,L1,Mul1,M1; BUILDSTDERR: ^~ BUILDSTDERR: SCF2File.c:862:22: warning: unused variable 'NumC' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:862:20: warning: unused variable 'N' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^ BUILDSTDERR: SCF2File.c:862:15: warning: unused variable 'spin' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~~ BUILDSTDERR: SCF2File.c:862:11: warning: unused variable 'Rnk' [-Wunused-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:862:7: warning: variable 'Rnh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int Rnh,Rnk,spin,N,NumC[4]; BUILDSTDERR: ^~~ BUILDSTDERR: SCF2File.c:861:29: warning: unused variable 'spinmax' [-Wunused-variable] BUILDSTDERR: int i,j,Cwan,Hwan,NO0,NO1,spinmax; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c:859:10: warning: unused variable 'time0' [-Wunused-variable] BUILDSTDERR: double time0; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from SCF2File.c:18: BUILDSTDERR: SCF2File.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from SCF2File.c:18: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from SCF2File.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c: In function 'OutData_Binary': BUILDSTDERR: OutData_Binary.c:840:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:860:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:475:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:514:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:663:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:683:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1592:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1592:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1592:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1592:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1611:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1611:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.homo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1611:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1611:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1693:23: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1693:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_r%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1693:20: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1693:20: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1713:21: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~ BUILDSTDERR: filepath,filename,kloop,spin,orbit,CUBE_EXTENSION); BUILDSTDERR: ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1713:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(file1,"%s%s.lumo%i_%i_%i_i%s", BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:1713:18: note: directive argument in the range [0, 2] BUILDSTDERR: OutData_Binary.c:1713:18: note: directive argument in the range [0, 2147483647] BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 22 and 1038 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2714:20: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file1,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2747:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file2,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:2766:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s%s_%0*i",filepath,filename,file3,digit,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 2147485146 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:145:18: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s%s.Dos.vec",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:155:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s%s.Dos.vec",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:158:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:158:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 1017 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:169:20: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: OutData_Binary.c:169:19: note: directive argument in the range [0, 2147483647] BUILDSTDERR: sprintf(fname2,"%s%s.Dos.vec%i",filepath,filename,i); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from OutData_Binary.c:15: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 10 and 1017 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: OutData_Binary.c:715:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData_Binary.c:537:28: warning: 'max_spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int LN,BN,CN,Ng1,Ng2,Ng3,max_spin; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: OutData_Binary.c:1545:5: warning: 'spinmax' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: for (spin=0; spin<=spinmax; spin++){ BUILDSTDERR: ^~~ BUILDSTDERR: OutData_Binary.c:1502:33: note: 'spinmax' was declared here BUILDSTDERR: int orbit,GN,spe,i,j,i1,i2,i3,spinmax; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: SCF2File.c: In function 'SCF2File': BUILDSTDERR: SCF2File.c:152:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s.scfout",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from SCF2File.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 8 and 1006 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCF2File.c:836:16: warning: 'count' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: i_vec[0] = count; BUILDSTDERR: ~~~~~~~~~^~~~~~~ BUILDSTDERR: SCF2File.c:289:39: note: 'count' was declared here BUILDSTDERR: int num,wan1,wan2,TNO1,TNO2,spin,Rn,count; BUILDSTDERR: ^~~~~ BUILDSTDERR: SCF2File.c:799:5: warning: 'fp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fwrite(d_vec,sizeof(double),10,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: SCF2File.c:39:9: note: 'fp' was declared here BUILDSTDERR: FILE *fp; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c mimic_sse.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Make_Comm_Worlds.c BUILDSTDERR: Make_Comm_Worlds.c: In function 'Make_Comm_Worlds': BUILDSTDERR: Make_Comm_Worlds.c:34:17: warning: unused variable 'myid1' [-Wunused-variable] BUILDSTDERR: int numprocs1,myid1; BUILDSTDERR: ^~~~~ BUILDSTDERR: Make_Comm_Worlds.c:34:7: warning: variable 'numprocs1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int numprocs1,myid1; BUILDSTDERR: ^~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Set_Allocate_Atom2CPU.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Cutoff.c BUILDSTDERR: Set_Allocate_Atom2CPU.c:46: warning: ignoring #pragma optimization_level [-Wunknown-pragmas] BUILDSTDERR: #pragma optimization_level 1 BUILDSTDERR: BUILDSTDERR: Set_Allocate_Atom2CPU.c: In function 'Allocation_Atoms_3D': BUILDSTDERR: Set_Allocate_Atom2CPU.c:53:27: warning: unused variable 'n0' [-Wunused-variable] BUILDSTDERR: int m,i,j,k,k0,Na,np,ID,n0; BUILDSTDERR: ^~ BUILDSTDERR: Set_Allocate_Atom2CPU.c: At top level: BUILDSTDERR: Set_Allocate_Atom2CPU.c:531: warning: ignoring #pragma optimization_level [-Wunknown-pragmas] BUILDSTDERR: #pragma optimization_level 1 BUILDSTDERR: BUILDSTDERR: In file included from Set_Allocate_Atom2CPU.c:17: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: Set_Allocate_Atom2CPU.c:20:13: warning: 'Output_Atom2CPU' declared 'static' but never defined [-Wunused-function] BUILDSTDERR: static void Output_Atom2CPU(); BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Set_Allocate_Atom2CPU.c:17: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Set_Allocate_Atom2CPU.c:17: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: Cutoff.c: In function 'factorize': BUILDSTDERR: Cutoff.c:95:7: warning: unused variable 'a' [-Wunused-variable] BUILDSTDERR: int a,b; BUILDSTDERR: ^ BUILDSTDERR: In file included from Cutoff.c:4: BUILDSTDERR: Cutoff.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from Cutoff.c:4: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from Cutoff.c:4: BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c Generating_MP_Special_Kpt.c BUILDSTDERR: Set_Allocate_Atom2CPU.c: In function 'Set_Allocate_Atom2CPU': BUILDSTDERR: Set_Allocate_Atom2CPU.c:269:17: warning: 'k0' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: if ( (((k0+1)\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_RestartFile.c:141:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_RestartFile.c:136:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_RestartFile.c:133:13: warning: unused variable 'size' [-Wunused-variable] BUILDSTDERR: int size1,size; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_RestartFile.c:130:18: warning: unused variable 'i2_vec' [-Wunused-variable] BUILDSTDERR: int i_vec[100],i2_vec[2]; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_RestartFile.c: In function 'TRAN_RestartFile': BUILDSTDERR: TRAN_RestartFile.c:525:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int numprocs,myid,ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_RestartFile.c: In function 'TRAN_Input_HKS': BUILDSTDERR: TRAN_RestartFile.c:156:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(i_vec,sizeof(int),2,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:160:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(i_vec,sizeof(int),12,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:198:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(d_vec,sizeof(double),19+3+3*atomnum_t+1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:243:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(WhatSpecies_t, sizeof(int), atomnum_t+1, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:246:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(Spe_Total_CNO_t, sizeof(int), SpeciesNum_t, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:249:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(Spe_Total_NO_t,sizeof(int),SpeciesNum_t,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:252:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(FNAN_t,sizeof(int),atomnum_t+1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:258:5: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(natn_t[i],sizeof(int),size1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:264:5: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(ncn_t[i],sizeof(int),size1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:284:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(ia_vec,sizeof(int),size1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:331:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(OLP_t[k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:397:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(H_t[k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:437:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(iHNL_t[k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:479:13: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(DM_t[m][k][Mc_AN][h_AN][i],sizeof(double),tno1,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:488:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(dDen_Grid_t, sizeof(double), N,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_RestartFile.c:493:3: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(dVHart_Grid_t,sizeof(double), N,fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreen.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Input_std.c BUILDSTDERR: TRAN_Input_std.c: In function 'TRAN_Input_std': BUILDSTDERR: TRAN_Input_std.c:43:8: warning: unused variable 'buf' [-Wunused-variable] BUILDSTDERR: char buf[MAXBUF]; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Input_std.c:38:9: warning: unused variable 'fp' [-Wunused-variable] BUILDSTDERR: FILE *fp; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap.c BUILDSTDERR: TRAN_Set_CentOverlap.c: In function 'TRAN_Set_CentOverlap': BUILDSTDERR: TRAN_Set_CentOverlap.c:115:19: warning: unused variable 'h0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap.c:115:16: warning: unused variable 's0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap.c:115:12: warning: unused variable 'tmp' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:110:9: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN,GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:184:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:234:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:287:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap.c:332:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ BUILDSTDERR: Generate_Wannier.c: In function 'Output_WF_Spread': BUILDSTDERR: Generate_Wannier.c:7940:18: warning: '%s' directive writing up to 499 bytes into a region of size 300 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname,"%s%s.wfinfo",filepath,filename); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from Generate_Wannier.c:13: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 8 and 1006 bytes into a destination of size 300 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreenLesser.c BUILDSTDERR: TRAN_Calc_CentGreenLesser.c: In function 'TRAN_Calc_CentGreenLesser': BUILDSTDERR: TRAN_Calc_CentGreenLesser.c:57:7: warning: unused variable 'side' [-Wunused-variable] BUILDSTDERR: int side; BUILDSTDERR: ^~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Input_std_Atoms.c BUILDSTDERR: TRAN_Input_std_Atoms.c: In function 'TRAN_Input_std_Atoms': BUILDSTDERR: TRAN_Input_std_Atoms.c:114:7: warning: suggest parentheses around assignment used as truth value [-Wparentheses] BUILDSTDERR: if (fp=input_find("' or provide a declaration of 'memset' BUILDSTDERR: DFTD3vdW_init.c:23:1: BUILDSTDERR: +#include BUILDSTDERR: BUILDSTDERR: DFTD3vdW_init.c:33502:3: BUILDSTDERR: memset( maxcn_dftD, -1, sizeof( maxcn_dftD) ); BUILDSTDERR: ^~~~~~ BUILDSTDERR: DFTD3vdW_init.c:33502:33: warning: argument to 'sizeof' in 'memset' call is the same expression as the destination; did you mean to dereference it? [-Wsizeof-pointer-memaccess] BUILDSTDERR: memset( maxcn_dftD, -1, sizeof( maxcn_dftD) ); BUILDSTDERR: ^ BUILDSTDERR: DFTD3vdW_init.c:33503:34: warning: argument to 'sizeof' in 'memset' call is the same expression as the destination; did you mean to dereference it? [-Wsizeof-pointer-memaccess] BUILDSTDERR: memset( rcov_dftD, -1.0, sizeof( rcov_dftD) ); BUILDSTDERR: ^ BUILDSTDERR: DFTD3vdW_init.c:33504:34: warning: argument to 'sizeof' in 'memset' call is the same expression as the destination; did you mean to dereference it? [-Wsizeof-pointer-memaccess] BUILDSTDERR: memset( r2r4_dftD, -1.0, sizeof( r2r4_dftD) ); BUILDSTDERR: ^ BUILDSTDERR: neb.c: In function 'Update_Coordinates': BUILDSTDERR: neb.c:1661:24: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileOPT,"%s%s.neb.opt",filepath,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1694:22: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileE,"%s%s.neb.ene",filepath,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1007 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: DFTD3vdW_init.c:33666:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if(DFTD3_damp_dftD==1)printf(" alp6=%f, alp8=%f, sr6=%f\n",alp6_dftD,alp8_dftD,sr6_dftD);fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: DFTD3vdW_init.c:33666:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if(DFTD3_damp_dftD==1)printf(" alp6=%f, alp8=%f, sr6=%f\n",alp6_dftD,alp8_dftD,sr6_dftD);fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: DFTD3vdW_init.c:33667:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if(DFTD3_damp_dftD==2)printf(" a1=%f, a2=%f\n",a1_dftD,a2_dftD);fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: DFTD3vdW_init.c:33667:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if(DFTD3_damp_dftD==2)printf(" a1=%f, a2=%f\n",a1_dftD,a2_dftD);fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: DFTD3vdW_init.c:35:13: warning: unused variable 'l' [-Wunused-variable] BUILDSTDERR: int i,j,k,l,iZ,jZ; BUILDSTDERR: ^ BUILDSTDERR: DFTD3vdW_init.c:34:19: warning: unused variable 'templen' [-Wunused-variable] BUILDSTDERR: double maxlentv,templen; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: DFTD3vdW_init.c:34:10: warning: unused variable 'maxlentv' [-Wunused-variable] BUILDSTDERR: double maxlentv,templen; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: In file included from DFTD3vdW_init.c:20: BUILDSTDERR: DFTD3vdW_init.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from DFTD3vdW_init.c:20: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from DFTD3vdW_init.c:20: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: neb.c: In function 'neb': BUILDSTDERR: neb.c:947:30: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1000:21: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:1000:17: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:981:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:981:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:981:23: warning: '%i' directive writing 1 byte into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 502 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1044:27: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1105:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld3+1+(h-1)*PN); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1108:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1+(h-1)*PN); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:575:32: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:607:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:607:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:651:36: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:708:25: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld3+1+(h-1)*numprocs); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:711:25: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1+(h-1)*numprocs); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:238:32: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:270:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:270:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:238:32: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:316:23: warning: '%i' directive writing 1 byte into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 502 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:323:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:323:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,index_images); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:333:36: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(file_neb_utot,"%s%s_0_rst/%s.neb.utot",filepath,system_name,system_name); BUILDSTDERR: ^~ ~~~~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 17 and 1514 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:432:25: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,p); BUILDSTDERR: ^~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:370:23: warning: '%i' directive writing between 1 and 11 bytes into a region of size between 0 and 499 [-Wformat-overflow=] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1); BUILDSTDERR: ^~ BUILDSTDERR: neb.c:370:19: note: directive argument in the range [-2147483647, 2147483647] BUILDSTDERR: sprintf(fname1,"%s_%i",fname_original,myworld1+1); BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb.c:16: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 3 and 512 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1115:29: warning: 'MPI_CommWD3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: neb_run( argv,MPI_CommWD3[myworld3],myworld3+1+(h-1)*PN,neb_atom_coordinates, BUILDSTDERR: ^ BUILDSTDERR: neb.c:1251:7: warning: 'Comm_WOrld_StartID3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_WOrld_StartID3); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1252:7: warning: 'NPROCS_WD3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD3); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1253:7: warning: 'Comm_World3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World3); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1254:7: warning: 'NPROCS_ID3' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID3); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:984:29: warning: 'MPI_CommWD2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: neb_run( argv,MPI_CommWD2[myworld2],index_images,neb_atom_coordinates, BUILDSTDERR: ^ BUILDSTDERR: neb.c:1240:5: warning: 'Comm_World_StartID2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World_StartID2); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:1241:5: warning: 'NPROCS_WD2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD2); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:96:8: warning: 'Comm_World2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int *Comm_World2; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: neb.c:1243:5: warning: 'NPROCS_ID2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID2); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:473:2: warning: 'MPI_CommWD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: MPI_Comm_free(&MPI_CommWD1[myworld1]); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:475:2: warning: 'Comm_World_StartID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World_StartID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:476:2: warning: 'NPROCS_WD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:477:2: warning: 'Comm_World1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: neb.c:478:2: warning: 'NPROCS_ID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c neb_run.c BUILDSTDERR: In file included from neb_run.c:21: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from neb_run.c:21: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from neb_run.c:21: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: neb_run.c: In function 'neb_run': BUILDSTDERR: neb_run.c:73:25: warning: '%s' directive writing up to 499 bytes into a region of size between 1 and 500 [-Wformat-overflow=] BUILDSTDERR: sprintf(fileMemory,"%s%s.memory%i",filepath,filename,myid); BUILDSTDERR: ^~ ~~~~~~~~ BUILDSTDERR: In file included from /usr/include/stdio.h:873, BUILDSTDERR: from neb_run.c:12: BUILDSTDERR: /usr/include/bits/stdio2.h:36:10: note: '__builtin___sprintf_chk' output between 9 and 1017 bytes into a destination of size 500 BUILDSTDERR: return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: __bos (__s), __fmt, __va_arg_pack ()); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c neb_check.c BUILDSTDERR: In file included from neb_check.c:19: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from neb_check.c:19: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from neb_check.c:19: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c cellopt.c BUILDSTDERR: cellopt.c: In function 'cellopt': BUILDSTDERR: cellopt.c:32:7: warning: unused variable 'i_vec' [-Wunused-variable] BUILDSTDERR: int i_vec[40]; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:31:9: warning: unused variable 's_vec' [-Wunused-variable] BUILDSTDERR: char *s_vec[40]; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:30:11: warning: unused variable 'flag' [-Wunused-variable] BUILDSTDERR: int i,j,flag; BUILDSTDERR: ^~~~ BUILDSTDERR: cellopt.c:30:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j,flag; BUILDSTDERR: ^ BUILDSTDERR: cellopt.c:30:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i,j,flag; BUILDSTDERR: ^ BUILDSTDERR: cellopt.c: In function 'CellCub': BUILDSTDERR: cellopt.c:55:15: warning: unused variable 'fileDRC' [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: cellopt.c:54:15: warning: unused variable 'fileE' [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:52:20: warning: variable 'Cell_Volume0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double tv0[4][4],Cell_Volume0; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: cellopt.c:49:48: warning: unused variable 'v1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:49:45: warning: unused variable 'v0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:49:36: warning: unused variable 'v_step' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~~~~ BUILDSTDERR: cellopt.c:49:32: warning: unused variable 'gf1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:49:28: warning: unused variable 'gf0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:47:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:44:24: warning: unused variable 'po' [-Wunused-variable] BUILDSTDERR: int i,j,I,INFO,Gc_AN,po; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c: In function 'CellTet': BUILDSTDERR: cellopt.c:257:15: warning: unused variable 'fileDRC' [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: cellopt.c:256:15: warning: unused variable 'fileE' [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:254:20: warning: variable 'Cell_Volume0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double tv0[4][4],Cell_Volume0; BUILDSTDERR: ^~~~~~~~~~~~ BUILDSTDERR: cellopt.c:252:48: warning: unused variable 'v1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:252:45: warning: unused variable 'v0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:252:43: warning: unused variable 'v' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^ BUILDSTDERR: cellopt.c:252:36: warning: unused variable 'v_step' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~~~~ BUILDSTDERR: cellopt.c:252:32: warning: unused variable 'gf1' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:252:28: warning: unused variable 'gf0' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:252:25: warning: unused variable 'gf' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:252:16: warning: unused variable 'len' [-Wunused-variable] BUILDSTDERR: double *a,*b,len,len0,gf,gf0,gf1,v_step,v,v0,v1; BUILDSTDERR: ^~~ BUILDSTDERR: cellopt.c:249:21: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int myid,numprocs,ID; BUILDSTDERR: ^~ BUILDSTDERR: cellopt.c:246:42: warning: unused variable 'po' [-Wunused-variable] BUILDSTDERR: int i,j,i1,i2,j1,j2,k1,k2,I,INFO,Gc_AN,po,Imin; BUILDSTDERR: ^~ BUILDSTDERR: In file included from cellopt.c:18: BUILDSTDERR: cellopt.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: cellopt.c:256:15: warning: 'fileE' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:257:15: warning: 'fileDRC' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: cellopt.c:54:15: warning: 'fileE' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileE[YOUSO10] = ".ene"; BUILDSTDERR: ^~~~~ BUILDSTDERR: cellopt.c:55:15: warning: 'fileDRC' defined but not used [-Wunused-variable] BUILDSTDERR: static char fileDRC[YOUSO10] = ".md"; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: In file included from cellopt.c:18: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from cellopt.c:18: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Allocate_NC.c BUILDSTDERR: cellopt.c: In function 'CellTet': BUILDSTDERR: cellopt.c:537:9: warning: 'Imin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: A = His_a[Imin]; BUILDSTDERR: ~~^~~~~~~~~~~~~ BUILDSTDERR: TRAN_Allocate_NC.c: In function 'TRAN_Allocate_Cregion_NC': BUILDSTDERR: TRAN_Allocate_NC.c:53:8: warning: unused variable 'MP' [-Wunused-variable] BUILDSTDERR: int *MP; /* dummy */ BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Allocate_NC.c: In function 'TRAN_Allocate_Lead_Region_NC': BUILDSTDERR: TRAN_Allocate_NC.c:103:9: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,k,n2,iside,num[2]; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Allocate_NC.c:102:8: warning: unused variable 'MP' [-Wunused-variable] BUILDSTDERR: int *MP; /* dummy */ BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_DFT_NC.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap_NC.c BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_NC': BUILDSTDERR: TRAN_DFT_NC.c:173:24: warning: variable 'time5' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double TStime,TEtime,time5; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_Original': BUILDSTDERR: TRAN_DFT_NC.c:571:18: warning: unused variable 'kRn' [-Wunused-variable] BUILDSTDERR: double co,si,kRn; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_DFT_NC.c:571:15: warning: unused variable 'si' [-Wunused-variable] BUILDSTDERR: double co,si,kRn; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:571:12: warning: unused variable 'co' [-Wunused-variable] BUILDSTDERR: double co,si,kRn; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:570:20: warning: unused variable 'Bnum' [-Wunused-variable] BUILDSTDERR: int itot0,Anum,Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_DFT_NC.c:570:15: warning: variable 'Anum' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int itot0,Anum,Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_DFT_NC.c:265:24: warning: variable 'l3' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i2,i3,k_op,l1,l2,l3,RnB; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:265:21: warning: variable 'l2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i2,i3,k_op,l1,l2,l3,RnB; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_Kdependent': BUILDSTDERR: TRAN_DFT_NC.c:1126:9: warning: variable 'l1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int l1,l2,l3,RnB; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:918:11: warning: unused variable 'iw0' [-Wunused-variable] BUILDSTDERR: int Miw,iw0; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_DFT_NC.c:917:14: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: static int ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_DFT_NC.c:913:7: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_DFT_NC.c:912:17: warning: unused variable 'TEtime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:912:10: warning: unused variable 'TStime' [-Wunused-variable] BUILDSTDERR: double TStime,TEtime; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:911:10: warning: unused variable 'dum' [-Wunused-variable] BUILDSTDERR: double dum; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_DFT_NC.c:903:19: warning: variable 'spinsize' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i,j,k,iside,spinsize; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: At top level: BUILDSTDERR: TRAN_DFT_NC.c:917:14: warning: 'ID' defined but not used [-Wunused-variable] BUILDSTDERR: static int ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c: In function 'TRAN_Set_CentOverlap_NC': BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:148:19: warning: unused variable 'h0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:148:16: warning: unused variable 's0' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:148:12: warning: unused variable 'tmp' [-Wunused-variable] BUILDSTDERR: double tmp,s0,h0; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:145:13: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k,q,AN; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:143:9: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN,GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:257:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:253:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:336:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:332:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:416:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:414:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:496:15: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:494:11: warning: unused variable 'MA_AN' [-Wunused-variable] BUILDSTDERR: int MA_AN, GA_AN, wanA, tnoA, Anum, GA_AN_e, Anum_e; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Set_CentOverlap_NC.c:112:7: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int k; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Set_SurfOverlap_NC.c BUILDSTDERR: TRAN_DFT_NC.c: In function 'TRAN_DFT_NC': BUILDSTDERR: TRAN_DFT_NC.c:801:7: warning: 'MPI_CommWD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: MPI_Comm_free(&MPI_CommWD1[myworld1]); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:289:13: note: 'MPI_CommWD1' was declared here BUILDSTDERR: MPI_Comm *MPI_CommWD1; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:807:5: warning: 'Comm_World_StartID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World_StartID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:288:8: note: 'Comm_World_StartID1' was declared here BUILDSTDERR: int *Comm_World_StartID1; BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:806:5: warning: 'NPROCS_WD1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_WD1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:287:8: note: 'NPROCS_WD1' was declared here BUILDSTDERR: int *NPROCS_WD1; BUILDSTDERR: ^~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:805:5: warning: 'Comm_World1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(Comm_World1); BUILDSTDERR: ^~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:286:8: note: 'Comm_World1' was declared here BUILDSTDERR: int *Comm_World1; BUILDSTDERR: ^~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:804:5: warning: 'NPROCS_ID1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(NPROCS_ID1); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_DFT_NC.c:285:8: note: 'NPROCS_ID1' was declared here BUILDSTDERR: int *NPROCS_ID1; BUILDSTDERR: ^~~~~~~~~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c: In function 'TRAN_Set_SurfOverlap_NC': BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:67:8: warning: unused variable 'msg' [-Wunused-variable] BUILDSTDERR: char msg[100]; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:64:17: warning: unused variable 'epscutoff' [-Wunused-variable] BUILDSTDERR: static double epscutoff=1.0e-8; BUILDSTDERR: ^~~~~~~~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:62:12: warning: unused variable 'h' [-Wunused-variable] BUILDSTDERR: double s,h[10]; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:62:10: warning: unused variable 's' [-Wunused-variable] BUILDSTDERR: double s,h[10]; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:56:11: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,j,k; BUILDSTDERR: ^ BUILDSTDERR: At top level: BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:64:17: warning: 'epscutoff' defined but not used [-Wunused-variable] BUILDSTDERR: static double epscutoff=1.0e-8; BUILDSTDERR: ^~~~~~~~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c: In function 'TRAN_Set_SurfOverlap_NC': BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:87:3: warning: 'iside' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: TRAN_Set_MP(1, atomnum_e[iside], WhatSpecies_e[iside], Spe_Total_CNO_e[iside], &NUM, MP); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: TRAN_Set_SurfOverlap_NC.c:172:10: warning: 'direction' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: if (l1==direction) { BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Calc_OneTransmission.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis_NC.c BUILDSTDERR: TRAN_Main_Analysis.c: In function 'TRAN_Main_Analysis': BUILDSTDERR: TRAN_Main_Analysis.c:713:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\n calculating...\n\n"); fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:713:59: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\n calculating...\n\n"); fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:872:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\nTransmission: files\n\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:872:62: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\nTransmission: files\n\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:928:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\nCurrent: file\n\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:928:56: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\nCurrent: file\n\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:942:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:942:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:952:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\nConductance: file\n\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:952:60: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\nConductance: file\n\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:973:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:973:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0==Host_ID) printf("\n");fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:983:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] BUILDSTDERR: if (myid0 == Host_ID) printf("\nCurrentdensity: file\n\n"); fflush(stdout); BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c:983:66: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' BUILDSTDERR: if (myid0 == Host_ID) printf("\nCurrentdensity: file\n\n"); fflush(stdout); BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:1062:70: warning: statement with no effect [-Wunused-value] BUILDSTDERR: if (TRAN_Channel_Nenergy * TRAN_Channel_Nkpoint <= 0) TRAN_Channel == 0; BUILDSTDERR: ~~~~~~~~~~~~~^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:429:34: warning: variable 'k_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int kloop0,kloop,S_knum,E_knum,k_op; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:28: warning: unused variable 'Hwan' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:23: warning: unused variable 'Cwan' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:18: warning: unused variable 'tno1' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:428:13: warning: unused variable 'tno0' [-Wunused-variable] BUILDSTDERR: int iside,tno0,tno1,Cwan,Hwan; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:427:18: warning: unused variable 'Gh_AN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:427:13: warning: unused variable 'h_AN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c:427:7: warning: unused variable 'Gc_AN' [-Wunused-variable] BUILDSTDERR: int Gc_AN,h_AN,Gh_AN; BUILDSTDERR: ^~~~~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Read_Tran_HS': BUILDSTDERR: TRAN_Main_Analysis.c:1409:13: warning: unused variable 'spin' [-Wunused-variable] BUILDSTDERR: int iside,spin; BUILDSTDERR: ^~~~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Transmission': BUILDSTDERR: TRAN_Main_Analysis.c:2266:14: warning: unused variable 'status' [-Wunused-variable] BUILDSTDERR: MPI_Status status; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:2265:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c:2261:7: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int tag=99; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Current': BUILDSTDERR: TRAN_Main_Analysis.c:2487:14: warning: unused variable 'status' [-Wunused-variable] BUILDSTDERR: MPI_Status status; BUILDSTDERR: ^~~~~~ BUILDSTDERR: TRAN_Main_Analysis.c:2486:9: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,j; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c:2482:7: warning: unused variable 'tag' [-Wunused-variable] BUILDSTDERR: int tag=99; BUILDSTDERR: ^~~ BUILDSTDERR: TRAN_Main_Analysis.c:2481:7: warning: unused variable 'ID' [-Wunused-variable] BUILDSTDERR: int ID; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Output_Transmission': BUILDSTDERR: TRAN_Main_Analysis.c:2703:10: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int iw,k; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Output_Current': BUILDSTDERR: TRAN_Main_Analysis.c:2811:12: warning: unused variable 'w' [-Wunused-variable] BUILDSTDERR: dcomplex w; BUILDSTDERR: ^ BUILDSTDERR: TRAN_Main_Analysis.c:2808:7: warning: unused variable 'iw' [-Wunused-variable] BUILDSTDERR: int iw,i2,i3; BUILDSTDERR: ^~ BUILDSTDERR: TRAN_Main_Analysis.c: In function 'MTRAN_Input': BUILDSTDERR: TRAN_Main_Analysis.c:3315:9: warning: suggest parentheses around assignment used as truth value [-Wparentheses] BUILDSTDERR: if (fp = input_find("= tmp_threshold){ BUILDSTDERR: ^ BUILDSTDERR: NBO_Krylov.c:8643:11: note: 'tmp_threshold' was declared here BUILDSTDERR: double tmp_threshold,sum; BUILDSTDERR: ^~~~~~~~~~~~~ BUILDSTDERR: NBO_Krylov.c:1139:23: warning: 'kp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int jc, jp, kc, kg, kp; BUILDSTDERR: ^~ BUILDSTDERR: NBO_Krylov.c:1139:11: warning: 'jp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int jc, jp, kc, kg, kp; BUILDSTDERR: ^~ BUILDSTDERR: NBO_Krylov.c:1127:9: warning: 'tmp_array' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: free(tmp_array); /* freeing of array */ BUILDSTDERR: ^~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx.o exx.c BUILDSTDERR: exx.c: In function 'EXX_New': BUILDSTDERR: exx.c:138:9: warning: 'nshell_ep' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: nep = EXX_Index_EP(natom, nshell_ep, self->atom_rc, self->atom_v, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: pvec, rc_cut, NULL, NULL, NULL); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: exx.c:136:9: warning: 'nshell_op' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: nop = EXX_Index_OP(natom, nshell_op, self->atom_rc, self->atom_v, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: pvec, NULL, NULL, NULL); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_index.o exx_index.c BUILDSTDERR: exx_index.c: In function 'EXX_Index_Cmp_OP': BUILDSTDERR: exx_index.c:91:25: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int ncd_op, ncell_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_OP': BUILDSTDERR: exx_index.c:331:47: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^ BUILDSTDERR: exx_index.c:331:44: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^ BUILDSTDERR: exx_index.c:331:41: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^ BUILDSTDERR: exx_index.c:331:34: warning: unused variable 'cc' [-Wunused-variable] BUILDSTDERR: double c1[3], c2[3], rc1, rc2, cc[3], x, y, z, d; BUILDSTDERR: ^~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_EQ': BUILDSTDERR: exx_index.c:418:18: warning: unused variable 'cc2' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:418:10: warning: unused variable 'cc1' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:414:53: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int neq, ncell, ncd, nshell_op, ncell_op, ncd_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_EP': BUILDSTDERR: exx_index.c:561:36: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nshell_op, ncd_op, ncell_op, ic0_op, ncd, ncell, iflag, nep; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_NQ_Full': BUILDSTDERR: exx_index.c:690:18: warning: unused variable 'cc2' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:690:10: warning: unused variable 'cc1' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:686:52: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nq, ncell, ncd, nshell_op, ncell_op, ncd_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c:685:59: warning: variable 'ic0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, icell1, icell2, icell3, ic0; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c: In function 'EXX_Index_NQ_Reduced': BUILDSTDERR: exx_index.c:802:18: warning: unused variable 'cc2' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:802:10: warning: unused variable 'cc1' [-Wunused-variable] BUILDSTDERR: double cc1[3], cc2[3], cc3[3]; BUILDSTDERR: ^~~ BUILDSTDERR: exx_index.c:798:52: warning: variable 'ic0_op' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nq, ncell, ncd, nshell_op, ncell_op, ncd_op, ic0_op; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_index.c:797:59: warning: variable 'ic0' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, icell1, icell2, icell3, ic0; BUILDSTDERR: ^~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_vector.o exx_vector.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_log.o exx_log.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_step1.o exx_step1.c BUILDSTDERR: exx_step1.c: In function 'EXX_Step1': BUILDSTDERR: exx_step1.c:63:14: warning: unused variable 'mpistat' [-Wunused-variable] BUILDSTDERR: MPI_Status mpistat; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: exx_step1.c:55:16: warning: unused variable 'nq_sig' [-Wunused-variable] BUILDSTDERR: int nq_full, nq_sig; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_step1.c:55:7: warning: unused variable 'nq_full' [-Wunused-variable] BUILDSTDERR: int nq_full, nq_sig; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: exx_step1.c:39:16: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double x, y, z, c1[3], c2[3], rc1, rc2, d, rc12, cx12, c12[3]; BUILDSTDERR: ^ BUILDSTDERR: exx_step1.c:39:13: warning: unused variable 'y' [-Wunused-variable] BUILDSTDERR: double x, y, z, c1[3], c2[3], rc1, rc2, d, rc12, cx12, c12[3]; BUILDSTDERR: ^ BUILDSTDERR: exx_step1.c:39:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x, y, z, c1[3], c2[3], rc1, rc2, d, rc12, cx12, c12[3]; BUILDSTDERR: ^ BUILDSTDERR: exx_step1.c:33:10: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i, j; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_step2.o exx_step2.c BUILDSTDERR: exx_step2.c: In function 'step2_core': BUILDSTDERR: exx_step2.c:116:27: warning: unused variable 'glY' [-Wunused-variable] BUILDSTDERR: double *mm_A, *mul_gc, *glY; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:116:11: warning: unused variable 'mm_A' [-Wunused-variable] BUILDSTDERR: double *mm_A, *mul_gc, *glY; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:113:22: warning: unused variable 'X' [-Wunused-variable] BUILDSTDERR: double I4[NRNMAX], X[NRNMAX*ERI_LMAXMAX*ERI_LMAXMAX]; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c:113:10: warning: unused variable 'I4' [-Wunused-variable] BUILDSTDERR: double I4[NRNMAX], X[NRNMAX*ERI_LMAXMAX*ERI_LMAXMAX]; BUILDSTDERR: ^~ BUILDSTDERR: exx_step2.c:108:17: warning: unused variable 'nrn0' [-Wunused-variable] BUILDSTDERR: int nrn, irn, nrn0; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:102:34: warning: unused variable 'cnt3' [-Wunused-variable] BUILDSTDERR: unsigned long long cnt1, cnt2, cnt3; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:100:16: warning: variable 'thresh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double rmin, thresh; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_step2.c:95:17: warning: unused variable 'glf2_max' [-Wunused-variable] BUILDSTDERR: const double *glf2_max; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_step2.c:94:17: warning: unused variable 'glf1_max' [-Wunused-variable] BUILDSTDERR: const double *glf1_max; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_step2.c:93:22: warning: unused variable 'ip2' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:93:17: warning: unused variable 'ip1' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:93:12: warning: unused variable 'np2' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:93:7: warning: unused variable 'np1' [-Wunused-variable] BUILDSTDERR: int np1, np2, ip1, ip2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:87:22: warning: unused variable 'ngrid' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_step2.c:87:7: warning: unused variable 'lmax' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_step2.c:74:12: warning: variable 'natom' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nop, natom, nshop, nshep; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_step2.c:74:7: warning: variable 'nop' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nop, natom, nshop, nshep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_step2.c:62:16: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i, k, f, j; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c:62:10: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i, k, f, j; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c: In function 'EXX_Step2': BUILDSTDERR: exx_step2.c:355:41: warning: unused variable 'nd' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~ BUILDSTDERR: exx_step2.c:355:34: warning: unused variable 'ndglf' [-Wunused-variable] BUILDSTDERR: int lmax, lmax_gl, ngrid, ngl, ndglf, nd; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_step2.c:340:13: warning: unused variable 'f' [-Wunused-variable] BUILDSTDERR: int i, k, f, iop1, iop2, nop; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c:340:10: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i, k, f, iop1, iop2, nop; BUILDSTDERR: ^ BUILDSTDERR: exx_step2.c: In function 'step2_core': BUILDSTDERR: exx_step2.c:333:13: warning: 'cnt2' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: *out_cnt2 = cnt2; BUILDSTDERR: ~~~~~~~~~~^~~~~~ BUILDSTDERR: exx_step2.c:332:13: warning: 'cnt1' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: *out_cnt1 = cnt1; BUILDSTDERR: ~~~~~~~~~~^~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_file_overlap.o exx_file_overlap.c BUILDSTDERR: exx_file_overlap.c: In function 'EXX_File_Overlap_Write': BUILDSTDERR: exx_file_overlap.c:28:22: warning: unused variable 'nd1' [-Wunused-variable] BUILDSTDERR: int myrank, nproc, nd1, iop; BUILDSTDERR: ^~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_file_eri.o exx_file_eri.c BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Create': BUILDSTDERR: exx_file_eri.c:35:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Write': BUILDSTDERR: exx_file_eri.c:65:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c:62:17: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: int neri, nr, stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Read_NRecord': BUILDSTDERR: exx_file_eri.c:111:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Read_Data_Head': BUILDSTDERR: exx_file_eri.c:139:14: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t cb, sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_file_eri.c: In function 'EXX_File_ERI_Read': BUILDSTDERR: exx_file_eri.c:200:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz, cb; BUILDSTDERR: ^~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_interface_openmx.o exx_interface_openmx.c BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_OP2EP_Cluster': BUILDSTDERR: exx_interface_openmx.c:643:19: warning: variable 'nep' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, k, l, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_Fock_Cluster': BUILDSTDERR: exx_interface_openmx.c:765:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:764:20: warning: unused variable 'iproc' [-Wunused-variable] BUILDSTDERR: int nproc, myid, iproc; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_interface_openmx.c:758:45: warning: variable 'tnoB' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN, wanA, tnoA, Anum, GB_AN, wanB, tnoB, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:758:20: warning: variable 'tnoA' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN, wanA, tnoA, Anum, GB_AN, wanB, tnoB, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:753:25: warning: variable 'op_atom2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:753:14: warning: variable 'op_atom1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:746:29: warning: unused variable 'nep' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:746:24: warning: unused variable 'irn' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:746:13: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^ BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_Fock_Band': BUILDSTDERR: exx_interface_openmx.c:1047:36: warning: variable 'si2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double kRn, kRmp, co1, si1, co2, si2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1047:31: warning: variable 'co2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double kRn, kRmp, co1, si1, co2, si2; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1043:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1028:25: warning: variable 'op_atom2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1028:14: warning: variable 'op_atom1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1021:29: warning: unused variable 'nep' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1021:13: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep; BUILDSTDERR: ^ BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_Energy_Band': BUILDSTDERR: exx_interface_openmx.c:1237:14: warning: unused variable 'stat' [-Wunused-variable] BUILDSTDERR: MPI_Status stat; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1227:25: warning: variable 'op_atom2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1227:14: warning: variable 'op_atom1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const int *op_atom1, *op_atom2; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:1223:63: warning: variable 'icell2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, ib1, ib2, ib3, ib4, icell1, icell2; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_interface_openmx.c:1223:55: warning: variable 'icell1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int iatm1, iatm2, iatm3, iatm4, ib1, ib2, ib3, ib4, icell1, icell2; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_interface_openmx.c:1221:26: warning: variable 'Bnum' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1221:19: warning: unused variable 'GB_AN' [-Wunused-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_interface_openmx.c:1221:13: warning: variable 'Anum' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_interface_openmx.c:1221:7: warning: unused variable 'GA_AN' [-Wunused-variable] BUILDSTDERR: int GA_AN,Anum, GB_AN, Bnum; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_interface_openmx.c:1219:29: warning: unused variable 'nep' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep, spin; BUILDSTDERR: ^~~ BUILDSTDERR: exx_interface_openmx.c:1219:13: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int i, j, n, ir, nr, irn, nep, spin; BUILDSTDERR: ^ BUILDSTDERR: exx_interface_openmx.c:1218:22: warning: unused variable 'iproc' [-Wunused-variable] BUILDSTDERR: int myrank, nproc, iproc; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from exx_interface_openmx.c:10: BUILDSTDERR: exx_interface_openmx.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_interface_openmx.c:10: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_interface_openmx.c:10: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: exx_interface_openmx.c: In function 'EXX_on_OpenMX_Init': BUILDSTDERR: exx_interface_openmx.c:256:11: warning: 'rc_cut' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: g_exx = EXX_New(natom, atom_v, atom_sp, nspec, spec_rc, spec_nb, BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: pvec, w_scr, rc_cut, system_type, g_exx_cachedir); BUILDSTDERR: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: exx_interface_openmx.c:256:11: warning: 'system_type' may be used uninitialized in this function [-Wmaybe-uninitialized] mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_debug.o exx_debug.c BUILDSTDERR: exx_debug.c: In function 'EXX_Debug_Copy_DM': BUILDSTDERR: exx_debug.c:22:20: warning: unused variable 'diff' [-Wunused-variable] BUILDSTDERR: double dm1, dm2, diff; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_debug.c:22:15: warning: unused variable 'dm2' [-Wunused-variable] BUILDSTDERR: double dm1, dm2, diff; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:22:10: warning: unused variable 'dm1' [-Wunused-variable] BUILDSTDERR: double dm1, dm2, diff; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:20:17: warning: unused variable 'iatm' [-Wunused-variable] BUILDSTDERR: int iep, nep, iatm, nb, nb1, nb2, nbmax; BUILDSTDERR: ^~~~ BUILDSTDERR: exx_debug.c:18:34: warning: unused variable 'iproc' [-Wunused-variable] BUILDSTDERR: int spin, i, j, myrank, nproc, iproc, ib; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_debug.c: In function 'EXX_Debug_Check_DM': BUILDSTDERR: exx_debug.c:191:12: warning: unused variable 'ia2' [-Wunused-variable] BUILDSTDERR: int ia1, ia2, l1, l2, l3, iep, Rn; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:191:7: warning: unused variable 'ia1' [-Wunused-variable] BUILDSTDERR: int ia1, ia2, l1, l2, l3, iep, Rn; BUILDSTDERR: ^~~ BUILDSTDERR: exx_debug.c:189:33: warning: unused variable 'Anum' [-Wunused-variable] BUILDSTDERR: int i, j, spin, MA_AN, GA_AN, Anum, LB_AN, GB_AN; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_debug.c:4: BUILDSTDERR: exx_debug.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_debug.c:4: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_debug.c:4: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: exx_debug.c: In function 'EXX_Initial_DM': BUILDSTDERR: exx_debug.c:137:14: warning: 'spin' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: exx_CDM[spin][iep][i][i].r = den; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_xc.o exx_xc.c BUILDSTDERR: In file included from exx_xc.c:11: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_xc.c:11: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_xc.c:11: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o exx_rhox.o exx_rhox.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri.o liberi-091216/source/eri.c BUILDSTDERR: exx_rhox.c: In function 'EXX_Output_DM': BUILDSTDERR: exx_rhox.c:21:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_rhox.c:16:38: warning: unused variable 'icell' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:16:31: warning: unused variable 'iatm2' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:16:24: warning: unused variable 'iatm1' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:15:15: warning: unused variable 'nproc' [-Wunused-variable] BUILDSTDERR: int myrank, nproc; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:15:7: warning: unused variable 'myrank' [-Wunused-variable] BUILDSTDERR: int myrank, nproc; BUILDSTDERR: ^~~~~~ BUILDSTDERR: exx_rhox.c: In function 'EXX_Input_DM': BUILDSTDERR: exx_rhox.c:92:10: warning: variable 'sz' set but not used [-Wunused-but-set-variable] BUILDSTDERR: size_t sz; BUILDSTDERR: ^~ BUILDSTDERR: exx_rhox.c:87:38: warning: unused variable 'icell' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:87:31: warning: unused variable 'iatm2' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: exx_rhox.c:87:24: warning: unused variable 'iatm1' [-Wunused-variable] BUILDSTDERR: int i, j, iep, spin, iatm1, iatm2, icell; BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from exx_rhox.c:7: BUILDSTDERR: exx_rhox.c: At top level: BUILDSTDERR: openmx_common.h:3161:13: warning: inline function 'Spherical_Bessel' declared but never defined BUILDSTDERR: inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ); BUILDSTDERR: ^~~~~~~~~~~~~~~~ BUILDSTDERR: exx_rhox.c: In function 'EXX_Input_DM': BUILDSTDERR: exx_rhox.c:163:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(&exx_DM[spin][iep][i][j].r, sizeof(double), 1, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: exx_rhox.c:164:11: warning: ignoring return value of 'fread', declared with attribute warn_unused_result [-Wunused-result] BUILDSTDERR: fread(&exx_DM[spin][iep][i][j].i, sizeof(double), 1, fp); BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: In file included from exx_rhox.c:7: BUILDSTDERR: At top level: BUILDSTDERR: openmx_common.h:3952:12: warning: 'NBLK' defined but not used [-Wunused-variable] BUILDSTDERR: static int NBLK=128; BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from exx_rhox.c:7: BUILDSTDERR: openmx_common.h:89:12: warning: 'fundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int fundamentalNum[4]={2,3,5,7}; BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:88:12: warning: 'NfundamentalNum' defined but not used [-Wunused-variable] BUILDSTDERR: static int NfundamentalNum=4; BUILDSTDERR: ^~~~~~~~~~~~~~~ BUILDSTDERR: openmx_common.h:1:13: warning: 'Version_OpenMX' defined but not used [-Wunused-variable] BUILDSTDERR: static char Version_OpenMX[30] = "3.8.5"; /* version of OpenMX */ BUILDSTDERR: ^~~~~~~~~~~~~~ BUILDSTDERR: liberi-091216/source/eri.c: In function 'ERI_Overlap': BUILDSTDERR: liberi-091216/source/eri.c:133:43: warning: passing argument 5 of 'ERI_LL_Overlap_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:532:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *da1[3], BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:133:56: warning: passing argument 7 of 'ERI_LL_Overlap_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx); BUILDSTDERR: ^~~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:534:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *da2[3], BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:45:26: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int ngrid, lmax, jmax, j; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri.c:45:20: warning: variable 'jmax' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int ngrid, lmax, jmax, j; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c:45:7: warning: variable 'ngrid' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int ngrid, lmax, jmax, j; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/eri.c: In function 'ERI_Integral': BUILDSTDERR: liberi-091216/source/eri.c:228:35: warning: passing argument 3 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, BUILDSTDERR: ^~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:574:17: note: expected 'double (*)[3][2]' but argument is of type 'double *' BUILDSTDERR: double dI4[4][3][2], BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~~~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:228:50: warning: passing argument 6 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:577:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *dF1[3], /* (IN) Overlap matrix */ BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:228:56: warning: passing argument 7 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] BUILDSTDERR: ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, BUILDSTDERR: ^~~~ BUILDSTDERR: In file included from liberi-091216/source/eri.c:14: BUILDSTDERR: liberi-091216/source/eri.h:578:17: note: expected 'const double **' but argument is of type 'double **' BUILDSTDERR: const double *dF2[3], /* (IN) */ BUILDSTDERR: ~~~~~~~~~~~~~~^~~~~~ BUILDSTDERR: liberi-091216/source/eri.c:191:23: warning: unused variable 'clk3' [-Wunused-variable] BUILDSTDERR: clock_t clk1, clk2, clk3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c:191:17: warning: unused variable 'clk2' [-Wunused-variable] BUILDSTDERR: clock_t clk1, clk2, clk3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c:191:11: warning: unused variable 'clk1' [-Wunused-variable] BUILDSTDERR: clock_t clk1, clk2, clk3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri.c: In function 'orbital_T': BUILDSTDERR: liberi-091216/source/eri.c:268:17: warning: variable 'kmesh' set but not used [-Wunused-but-set-variable] BUILDSTDERR: const double *kmesh; BUILDSTDERR: ^~~~~ BUILDSTDERR: At top level: BUILDSTDERR: liberi-091216/source/eri.c:330:15: warning: 'orbital_r' defined but not used [-Wunused-function] BUILDSTDERR: static double orbital_r( BUILDSTDERR: ^~~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_ll.o liberi-091216/source/eri_ll.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Required_Size': BUILDSTDERR: liberi-091216/source/eri_ll.c:210:17: warning: variable 'jmax' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int nq, type, jmax; BUILDSTDERR: ^~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_sf.o liberi-091216/source/eri_sf.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha': BUILDSTDERR: liberi-091216/source/eri_ll.c:597:26: warning: variable 'm1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int j, j1, j2, ir, l1, m1, l2, m2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:755:29: warning: variable 'm1' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, ir, j1, j2, l1, m1, l2, m2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:1033:14: warning: unused variable 'j2m' [-Wunused-variable] BUILDSTDERR: const int *j2m = g_itbl_j2m; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_ll.c:1032:14: warning: unused variable 'j2l' [-Wunused-variable] BUILDSTDERR: const int *j2l = g_itbl_j2l; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:1178:49: warning: variable 'm' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, j1, j2, ir, ia1, ia2, ip, ixyz, l, m; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1178:46: warning: variable 'l' set but not used [-Wunused-but-set-variable] BUILDSTDERR: int i, j, j1, j2, ir, ia1, ia2, ip, ixyz, l, m; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL': BUILDSTDERR: liberi-091216/source/eri_ll.c:1672:18: warning: unused variable 'gnt_r' [-Wunused-variable] BUILDSTDERR: double k, gnt, gnt_r[2], sum[2], FG[2], int1[2], sum2[2]; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_PrejY': BUILDSTDERR: liberi-091216/source/eri_ll.c:2165:13: warning: unused variable 'z' [-Wunused-variable] BUILDSTDERR: double k, z; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_Post': BUILDSTDERR: liberi-091216/source/eri_ll.c:2316:15: warning: unused variable 'sh' [-Wunused-variable] BUILDSTDERR: double gnt, sh, sum; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2315:41: warning: unused variable 'l2' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2315:37: warning: unused variable 'l1' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2314:30: warning: unused variable 'lphase' [-Wunused-variable] BUILDSTDERR: int ngl, lmax, jmax, nmul, lphase; BUILDSTDERR: ^~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_Post2': BUILDSTDERR: liberi-091216/source/eri_ll.c:2413:15: warning: unused variable 'sh' [-Wunused-variable] BUILDSTDERR: double gnt, sh, sum; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2412:41: warning: unused variable 'l2' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2412:37: warning: unused variable 'l1' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2411:30: warning: unused variable 'lphase' [-Wunused-variable] BUILDSTDERR: int ngl, lmax, jmax, nmul, lphase; BUILDSTDERR: ^~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_X': BUILDSTDERR: liberi-091216/source/eri_ll.c:2488:41: warning: unused variable 'l2' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2488:37: warning: unused variable 'l1' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2488:7: warning: unused variable 'iR' [-Wunused-variable] BUILDSTDERR: int iR, imR, i, j, j1, j2, ik, l, l1, l2; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c:2487:30: warning: unused variable 'lphase' [-Wunused-variable] BUILDSTDERR: int ngl, lmax, jmax, nmul, lphase; BUILDSTDERR: ^~~~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c: In function 'sph_bessel_drec': BUILDSTDERR: liberi-091216/source/eri_sf.c:214:39: warning: variable 'ix2' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double j0, j1, sf, tmp, si, co, ix, ix2, tsb[1024], huge; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_sf.c: In function 'ERI_Gaunt': BUILDSTDERR: liberi-091216/source/eri_sf.c:529:10: warning: unused variable 'result' [-Wunused-variable] BUILDSTDERR: double result, cg1, cg2; BUILDSTDERR: ^~~~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:28: warning: unused variable 'tmp3' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:22: warning: unused variable 'tmp2' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:16: warning: unused variable 'tmp1' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/eri_sf.c:528:10: warning: unused variable 'tmp0' [-Wunused-variable] BUILDSTDERR: double tmp0, tmp1, tmp2, tmp3; BUILDSTDERR: ^~~~ BUILDSTDERR: At top level: BUILDSTDERR: liberi-091216/source/eri_sf.c:114:13: warning: 'ERI_RCSH_Coeff_Inverse' defined but not used [-Wunused-function] BUILDSTDERR: static void ERI_RCSH_Coeff_Inverse(int m, double c[2], double d[2]) BUILDSTDERR: ^~~~~~~~~~~~~~~~~~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Size_of_Alpha': BUILDSTDERR: liberi-091216/source/eri_ll.c:375:32: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: return sizeof(double)*(ndalp + jmax); BUILDSTDERR: ~~~~~~~^~~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Size_of_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:395:30: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: return sizeof(double)*(ndp + jmax0); BUILDSTDERR: ~~~~~^~~~~~~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Size_of_GLF': BUILDSTDERR: liberi-091216/source/eri_ll.c:415:32: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: return sizeof(double)*(ndglf + jmax0); BUILDSTDERR: ~~~~~~~^~~~~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_interpolate.o liberi-091216/source/eri_interpolate.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha': BUILDSTDERR: liberi-091216/source/eri_ll.c:604:7: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndalp; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/eri_interpolate.c: In function 'extrapolate': BUILDSTDERR: liberi-091216/source/eri_interpolate.c:297:10: warning: variable 'c' set but not used [-Wunused-but-set-variable] BUILDSTDERR: double c; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Alpha_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:770:7: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndalp; BUILDSTDERR: ^~~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/eri_gtbl.o liberi-091216/source/eri_gtbl.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:1071:14: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: amax1 = &a1[ndalp]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1035:7: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndp, ndalp; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_gtbl.c: In function 'gtbl_nmax': BUILDSTDERR: liberi-091216/source/eri_gtbl.c:72:36: warning: unused variable 'j2' [-Wunused-variable] BUILDSTDERR: int l, m, j, l1, m1, j1, l2, m2, j2, lsum, n, jmax; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_gtbl.c:72:24: warning: unused variable 'j1' [-Wunused-variable] BUILDSTDERR: int l, m, j, l1, m1, j1, l2, m2, j2, lsum, n, jmax; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_LL_Overlap_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:1220:18: warning: 'ndalp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: amax1 = &a1[ndalp]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1185:7: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: int ndp, ndalp; BUILDSTDERR: ^~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/eri_sbt.o liberi-091216/source/sbt/eri_sbt.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/log/eri_fsbt.o liberi-091216/source/sbt/log/eri_fsbt.c BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Transform_Overlap': BUILDSTDERR: liberi-091216/source/eri_ll.c:1492:12: warning: 'ndp' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: pmax = &P[ndp]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_GL_Interpolate': BUILDSTDERR: liberi-091216/source/eri_ll.c:1594:16: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: glfmax = &glF[ndglf]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c:1595:14: warning: 'ndf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fmax = &F[ndf]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c: In function 'ERI_FSBT_Transform_Input': BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c:255:17: warning: unused variable 'Mmesh' [-Wunused-variable] BUILDSTDERR: fftw_complex *Mmesh = ptr->M; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c: In function 'ERI_FSBT_Transform_Output': BUILDSTDERR: liberi-091216/source/sbt/log/eri_fsbt.c:286:10: warning: unused variable 'rho' [-Wunused-variable] BUILDSTDERR: double rho, kap, t, p, c, s, e; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL': BUILDSTDERR: liberi-091216/source/eri_ll.c:1721:14: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fmax1 = &F1[ndglf]; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/eri_ll.c: In function 'ERI_Integral_GL_d': BUILDSTDERR: liberi-091216/source/eri_ll.c:1938:14: warning: 'ndglf' may be used uninitialized in this function [-Wmaybe-uninitialized] BUILDSTDERR: fmax1 = &F1[ndglf]; BUILDSTDERR: ^ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/log/eri_logfsbt.o liberi-091216/source/sbt/log/eri_logfsbt.c mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -g -c -o liberi-091216/source/sbt/linear/eri_linfsbt.o liberi-091216/source/sbt/linear/eri_linfsbt.c BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'segment_cubic': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:53: warning: unused variable 'c3i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:48: warning: unused variable 'c3r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:43: warning: unused variable 'c2i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:38: warning: unused variable 'c2r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:33: warning: unused variable 'c1i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:28: warning: unused variable 'c1r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:23: warning: unused variable 'c0i' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:18: warning: unused variable 'c0r' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:14: warning: unused variable 'dy' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:294:10: warning: unused variable 'dx' [-Wunused-variable] BUILDSTDERR: double dx, dy, c0r, c0i, c1r, c1i, c2r, c2i, c3r, c3i; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'recsum_cubic_twoway_new': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:454:40: warning: unused variable 'dn7' [-Wunused-variable] BUILDSTDERR: double dn1, dn2, dn3, dn4, dn5, dn6, dn7; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'recsum_cubic_upward_new': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:602:40: warning: unused variable 'dn7' [-Wunused-variable] BUILDSTDERR: double dn1, dn2, dn3, dn4, dn5, dn6, dn7; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:600:13: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int n, i, j; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'calculate_gamma': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:42: warning: unused variable 'g7' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:38: warning: unused variable 'g6' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:34: warning: unused variable 'g5' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:30: warning: unused variable 'g4' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:26: warning: unused variable 'g3' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:22: warning: unused variable 'g2' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:17: warning: unused variable 'tmp' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:793:10: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double x, dx, tmp, g2, g3, g4, g5, g6, g7; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'transform_switch': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:941:17: warning: unused variable 'iodd' [-Wunused-variable] BUILDSTDERR: int n, ieven, iodd; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:941:10: warning: unused variable 'ieven' [-Wunused-variable] BUILDSTDERR: int n, ieven, iodd; BUILDSTDERR: ^~~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:941:7: warning: unused variable 'n' [-Wunused-variable] BUILDSTDERR: int n, ieven, iodd; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'transform_in': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:961:7: warning: unused variable 'i' [-Wunused-variable] BUILDSTDERR: int i; BUILDSTDERR: ^ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c: In function 'transform_out': BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:999:22: warning: unused variable 'twon' [-Wunused-variable] BUILDSTDERR: double fact, twop, twon; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:999:16: warning: unused variable 'twop' [-Wunused-variable] BUILDSTDERR: double fact, twop, twon; BUILDSTDERR: ^~~~ BUILDSTDERR: liberi-091216/source/sbt/linear/eri_linfsbt.c:999:10: warning: unused variable 'fact' [-Wunused-variable] BUILDSTDERR: double fact, twop, twon; BUILDSTDERR: ^~~~ mpicc -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Dnosse -fopenmp -I./liberi-091216/source -o DosMain.o -c DosMain.c BUILDSTDERR: DosMain.c: In function 'Dos_Histgram': BUILDSTDERR: DosMain.c:372:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'Dos_Gaussian': BUILDSTDERR: DosMain.c:487:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'DosDC_Gaussian': BUILDSTDERR: DosMain.c:667:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:660:16: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int spin,i,j,k,ieg,iecenter; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:660:14: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int spin,i,j,k,ieg,iecenter; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c: In function 'Dos_NEGF': BUILDSTDERR: DosMain.c:839:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:832:18: warning: unused variable 'factor' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:832:15: warning: unused variable 'xa' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:832:13: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:832:10: warning: unused variable 'eg' [-Wunused-variable] BUILDSTDERR: double eg,x,xa,factor,wval; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:830:22: warning: unused variable 'iecenter' [-Wunused-variable] BUILDSTDERR: int spin,i,j,k,ieg,iecenter; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: DosMain.c:828:7: warning: unused variable 'iewidth' [-Wunused-variable] BUILDSTDERR: int iewidth,ie; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: DosMain.c:827:10: warning: unused variable 'pi2' [-Wunused-variable] BUILDSTDERR: double pi2; BUILDSTDERR: ^~~ BUILDSTDERR: DosMain.c: In function 'Dos_Tetrahedron': BUILDSTDERR: DosMain.c:986:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'Spectra_Gaussian': BUILDSTDERR: DosMain.c:1179:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:1175:28: warning: unused variable 'dE' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:1175:20: warning: unused variable 'MulP' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~~~ BUILDSTDERR: DosMain.c: In function 'SpectraDC_Gaussian': BUILDSTDERR: DosMain.c:1537:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:1528:14: warning: unused variable 'i_Dos' [-Wunused-variable] BUILDSTDERR: int N_Dos, i_Dos[10]; BUILDSTDERR: ^~~~~ BUILDSTDERR: DosMain.c:1528:7: warning: unused variable 'N_Dos' [-Wunused-variable] BUILDSTDERR: int N_Dos, i_Dos[10]; BUILDSTDERR: ^~~~~ BUILDSTDERR: DosMain.c:1526:15: warning: unused variable 'rval' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa,tmp1; BUILDSTDERR: ^~~~ BUILDSTDERR: DosMain.c:1524:16: warning: unused variable 'k' [-Wunused-variable] BUILDSTDERR: int i,spin,j,k; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:1524:14: warning: unused variable 'j' [-Wunused-variable] BUILDSTDERR: int i,spin,j,k; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c: In function 'Spectra_Tetrahedron': BUILDSTDERR: DosMain.c:1854:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c: In function 'Spectra_NEGF': BUILDSTDERR: DosMain.c:2317:8: warning: unused variable 'fp_buf' [-Wunused-variable] BUILDSTDERR: char fp_buf[fp_bsize]; /* setvbuf */ BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:2313:28: warning: unused variable 'dE' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:2313:20: warning: unused variable 'MulP' [-Wunused-variable] BUILDSTDERR: double dossum[2],MulP[5],dE; BUILDSTDERR: ^~~~ BUILDSTDERR: DosMain.c:2310:19: warning: unused variable 'iecenter' [-Wunused-variable] BUILDSTDERR: int iewidth,ie,iecenter; BUILDSTDERR: ^~~~~~~~ BUILDSTDERR: DosMain.c:2310:8: warning: unused variable 'iewidth' [-Wunused-variable] BUILDSTDERR: int iewidth,ie,iecenter; BUILDSTDERR: ^~~~~~~ BUILDSTDERR: DosMain.c:2309:14: warning: unused variable 'factor' [-Wunused-variable] BUILDSTDERR: double pi2,factor; BUILDSTDERR: ^~~~~~ BUILDSTDERR: DosMain.c:2309:10: warning: unused variable 'pi2' [-Wunused-variable] BUILDSTDERR: double pi2,factor; BUILDSTDERR: ^~~ BUILDSTDERR: DosMain.c:2306:20: warning: unused variable 'xa' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c:2306:13: warning: unused variable 'x' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa; BUILDSTDERR: ^ BUILDSTDERR: DosMain.c:2306:10: warning: unused variable 'eg' [-Wunused-variable] BUILDSTDERR: double eg,x,rval,xa; BUILDSTDERR: ^~ BUILDSTDERR: DosMain.c: In function 'input_file_eg': BUILDSTDERR: DosMain.c:2699:9: warning: suggest parentheses around assignment used as truth value [-Wparentheses] BUILDSTDERR: if (fp=input_find(" Your input file was normally read. The system includes 2 species and 12 atoms. ******************************************************* PAO and VPS ******************************************************* PAOs of species H were normally found. PAOs of species C were normally found. VPSs of species H were normally found. H_CA13.vps is j-dependent. In case of scf.SpinOrbit.Coupling=off, j-dependent pseudo potentials are averaged by j-degeneracy, which corresponds to a scalar relativistic treatment. VPSs of species C were normally found. C_CA13.vps is j-dependent. In case of scf.SpinOrbit.Coupling=off, j-dependent pseudo potentials are averaged by j-degeneracy, which corresponds to a scalar relativistic treatment. ******************************************************* Fourier transform of PAO and projectors of VNL ******************************************************* Fourier transform of pseudo atomic orbitals Fourier transform of non-local projectors Fourier transform of VNA separable projectors Fourier transform of VNA potentials Fourier transform of product of PAOs ******************************************************* Allocation of atoms to proccesors at MD_iter= 1 ******************************************************* proc = 0 # of atoms= 12 estimated weight= 12.00000 ******************************************************* Analysis of neighbors and setting of grids ******************************************************* TFNAN= 132 Average FNAN= 11.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 1 ct_AN= 1 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 2 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 3 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 4 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 5 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 6 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 7 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 8 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 9 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 10 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 11 FNAN SNAN 11 0 CpyCell= 1 ct_AN= 12 FNAN SNAN 11 0 TFNAN= 132 Average FNAN= 11.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 3 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 4 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 5 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 6 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 7 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 8 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 9 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 10 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 11 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 12 FNAN SNAN 11 0 TFNAN= 132 Average FNAN= 11.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 3 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 4 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 5 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 6 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 7 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 8 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 9 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 10 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 11 FNAN SNAN 11 0 CpyCell= 2 ct_AN= 12 FNAN SNAN 11 0 The system is molecule. lattice vectors (bohr) A = 24.566437851526, 0.000000000000, 0.000000000000 B = 0.000000000000, 24.566437851526, 0.000000000000 C = 0.000000000000, 0.000000000000, 13.228081920052 reciprocal lattice vectors (bohr^-1) RA = 0.255762978139, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.255762978139, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.474988387973 Grid_Origin -12.173547013257 -12.173547643166 -6.503806944026 Cell_Volume = 7983.277982894211 (Bohr^3) GridVol = 0.010607033885 (Bohr^3) Grid_Origin -12.173547013257 -12.173547643166 -6.503806944026 Cell_Volume = 7983.277982894211 (Bohr^3) GridVol = 0.010607033885 (Bohr^3) Info. of cutoff energy and num. of grids lattice vectors (bohr) A = 24.566437851526, 0.000000000000, 0.000000000000 B = 0.000000000000, 24.566437851526, 0.000000000000 C = 0.000000000000, 0.000000000000, 13.228081920052 reciprocal lattice vectors (bohr^-1) RA = 0.255762978139, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.255762978139, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.474988387973 Required cutoff energy (Ryd) for 3D-grids = 200.0000 Used cutoff energy (Ryd) for 3D-grids = 205.1405, 205.1405, 203.0526 Num. of grids of a-, b-, and c-axes = 112, 112, 60 Grid_Origin -12.173547013257 -12.173547643166 -6.503806944026 Cell_Volume = 7983.277982894211 (Bohr^3) GridVol = 0.010607033885 (Bohr^3) Cell vectors (bohr) of the grid cell (gtv) gtv_a = 0.219343195103, 0.000000000000, 0.000000000000 gtv_b = 0.000000000000, 0.219343195103, 0.000000000000 gtv_c = 0.000000000000, 0.000000000000, 0.220468032001 |gtv_a| = 0.219343195103 |gtv_b| = 0.219343195103 |gtv_c| = 0.220468032001 Num. of grids overlapping with atom 1 = 49344 Num. of grids overlapping with atom 2 = 49354 Num. of grids overlapping with atom 3 = 49362 Num. of grids overlapping with atom 4 = 49344 Num. of grids overlapping with atom 5 = 49354 Num. of grids overlapping with atom 6 = 49362 Num. of grids overlapping with atom 7 = 49346 Num. of grids overlapping with atom 8 = 49352 Num. of grids overlapping with atom 9 = 49360 Num. of grids overlapping with atom 10 = 49346 Num. of grids overlapping with atom 11 = 49352 Num. of grids overlapping with atom 12 = 49360 ******************************************************* SCF calculation at MD = 1 ******************************************************* Calculation of the overlap matrix Calculation of the nonlocal matrix Calculation of the VNA projector matrix ******************* MD= 1 SCF= 1 ******************* Solving the eigenvalue problem... 1 C MulP 1.9963 1.9963 sum 3.9926 2 C MulP 1.9963 1.9963 sum 3.9925 3 C MulP 1.9963 1.9963 sum 3.9925 4 C MulP 1.9963 1.9963 sum 3.9926 5 C MulP 1.9963 1.9963 sum 3.9925 6 C MulP 1.9963 1.9963 sum 3.9925 7 H MulP 0.5037 0.5037 sum 1.0075 8 H MulP 0.5037 0.5037 sum 1.0075 9 H MulP 0.5037 0.5037 sum 1.0075 10 H MulP 0.5037 0.5037 sum 1.0075 11 H MulP 0.5037 0.5037 sum 1.0075 12 H MulP 0.5037 0.5037 sum 1.0075 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -11.807087965685 dUele = 1.000000000000 NormRD = 1.000000000000 Criterion = 0.000000001000 ******************* MD= 1 SCF= 2 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0147 2.0147 sum 4.0293 2 C MulP 2.0147 2.0147 sum 4.0293 3 C MulP 2.0147 2.0147 sum 4.0293 4 C MulP 2.0147 2.0147 sum 4.0293 5 C MulP 2.0147 2.0147 sum 4.0293 6 C MulP 2.0146 2.0146 sum 4.0293 7 H MulP 0.4853 0.4853 sum 0.9707 8 H MulP 0.4853 0.4853 sum 0.9707 9 H MulP 0.4853 0.4853 sum 0.9707 10 H MulP 0.4853 0.4853 sum 0.9707 11 H MulP 0.4853 0.4853 sum 0.9707 12 H MulP 0.4853 0.4853 sum 0.9707 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070030602526 Uele = -12.281188255886 dUele = 0.474100290201 NormRD = 1.812137268648 Criterion = 0.000000001000 ******************* MD= 1 SCF= 3 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.2420 2.2420 sum 4.4840 2 C MulP 2.2420 2.2420 sum 4.4840 3 C MulP 2.2420 2.2420 sum 4.4840 4 C MulP 2.2420 2.2420 sum 4.4840 5 C MulP 2.2420 2.2420 sum 4.4840 6 C MulP 2.2420 2.2420 sum 4.4840 7 H MulP 0.2580 0.2580 sum 0.5160 8 H MulP 0.2580 0.2580 sum 0.5160 9 H MulP 0.2580 0.2580 sum 0.5160 10 H MulP 0.2580 0.2580 sum 0.5160 11 H MulP 0.2580 0.2580 sum 0.5160 12 H MulP 0.2580 0.2580 sum 0.5160 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.121515339643 Uele = -18.453719725612 dUele = 6.172531469725 NormRD = 1.179545748085 Criterion = 0.000000001000 ******************* MD= 1 SCF= 4 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.2331 2.2331 sum 4.4662 2 C MulP 2.2331 2.2331 sum 4.4662 3 C MulP 2.2331 2.2331 sum 4.4661 4 C MulP 2.2331 2.2331 sum 4.4662 5 C MulP 2.2331 2.2331 sum 4.4662 6 C MulP 2.2331 2.2331 sum 4.4661 7 H MulP 0.2669 0.2669 sum 0.5338 8 H MulP 0.2669 0.2669 sum 0.5338 9 H MulP 0.2669 0.2669 sum 0.5339 10 H MulP 0.2669 0.2669 sum 0.5338 11 H MulP 0.2669 0.2669 sum 0.5338 12 H MulP 0.2669 0.2669 sum 0.5339 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -18.212665837341 dUele = 0.241053888271 NormRD = 0.991005702620 Criterion = 0.000000001000 ******************* MD= 1 SCF= 5 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1656 2.1656 sum 4.3311 2 C MulP 2.1656 2.1656 sum 4.3311 3 C MulP 2.1656 2.1656 sum 4.3311 4 C MulP 2.1656 2.1656 sum 4.3311 5 C MulP 2.1656 2.1656 sum 4.3311 6 C MulP 2.1656 2.1656 sum 4.3311 7 H MulP 0.3344 0.3344 sum 0.6689 8 H MulP 0.3344 0.3344 sum 0.6689 9 H MulP 0.3344 0.3344 sum 0.6689 10 H MulP 0.3344 0.3344 sum 0.6689 11 H MulP 0.3344 0.3344 sum 0.6689 12 H MulP 0.3344 0.3344 sum 0.6689 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -16.422350905368 dUele = 1.790314931973 NormRD = 0.269366427837 Criterion = 0.000000001000 ******************* MD= 1 SCF= 6 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1468 2.1468 sum 4.2936 2 C MulP 2.1468 2.1468 sum 4.2936 3 C MulP 2.1468 2.1468 sum 4.2936 4 C MulP 2.1468 2.1468 sum 4.2936 5 C MulP 2.1468 2.1468 sum 4.2936 6 C MulP 2.1468 2.1468 sum 4.2936 7 H MulP 0.3532 0.3532 sum 0.7064 8 H MulP 0.3532 0.3532 sum 0.7064 9 H MulP 0.3532 0.3532 sum 0.7064 10 H MulP 0.3532 0.3532 sum 0.7064 11 H MulP 0.3532 0.3532 sum 0.7064 12 H MulP 0.3532 0.3532 sum 0.7064 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.939028795327 dUele = 0.483322110041 NormRD = 0.085294615504 Criterion = 0.000000001000 ******************* MD= 1 SCF= 7 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1400 2.1400 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3600 0.3600 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3600 0.3600 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.762689363080 dUele = 0.176339432247 NormRD = 0.013940119035 Criterion = 0.000000001000 ******************* MD= 1 SCF= 8 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1401 2.1401 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1401 2.1401 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3599 0.3599 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3599 0.3599 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.761114206024 dUele = 0.001575157056 NormRD = 0.000432494761 Criterion = 0.000000001000 ******************* MD= 1 SCF= 9 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1400 2.1400 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3600 0.3600 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3600 0.3600 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.760835299661 dUele = 0.000278906363 NormRD = 0.000041636876 Criterion = 0.000000001000 ******************* MD= 1 SCF=10 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1401 2.1401 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3599 0.3599 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3599 0.3599 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.760905033520 dUele = 0.000069733859 NormRD = 0.000030036148 Criterion = 0.000000001000 ******************* MD= 1 SCF=11 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1400 2.1400 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3599 0.3599 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3599 0.3599 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.760907379201 dUele = 0.000002345681 NormRD = 0.000002030240 Criterion = 0.000000001000 ******************* MD= 1 SCF=12 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1400 2.1400 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3599 0.3599 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3599 0.3599 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.760906658715 dUele = 0.000000720486 NormRD = 0.000001351631 Criterion = 0.000000001000 ******************* MD= 1 SCF=13 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1400 2.1400 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3599 0.3599 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3599 0.3599 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.760906285769 dUele = 0.000000372945 NormRD = 0.000000006367 Criterion = 0.000000001000 ******************* MD= 1 SCF=14 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1400 2.1400 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3599 0.3599 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3599 0.3599 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.760906279840 dUele = 0.000000005929 NormRD = 0.000000002436 Criterion = 0.000000001000 ******************* MD= 1 SCF=15 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.1400 2.1400 sum 4.2801 2 C MulP 2.1400 2.1400 sum 4.2801 3 C MulP 2.1400 2.1400 sum 4.2801 4 C MulP 2.1400 2.1400 sum 4.2801 5 C MulP 2.1400 2.1400 sum 4.2801 6 C MulP 2.1400 2.1400 sum 4.2801 7 H MulP 0.3599 0.3599 sum 0.7199 8 H MulP 0.3600 0.3600 sum 0.7199 9 H MulP 0.3600 0.3600 sum 0.7199 10 H MulP 0.3599 0.3599 sum 0.7199 11 H MulP 0.3600 0.3600 sum 0.7199 12 H MulP 0.3600 0.3600 sum 0.7199 Sum of MulP: up = 15.00000 down = 15.00000 total= 30.00000 ideal(neutral)= 30.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -15.760906280353 dUele = 0.000000000513 NormRD = 0.000000001759 Criterion = 0.000000001000 Force calculation Force calculation #1 Force calculation #2 Force calculation #3 Force calculation #4 Force calculation #5 Total Energy Force calculation #6 Force calculation #7 ******************************************************* Dipole moment (Debye) ******************************************************* Absolute D 0.00001883 Dx Dy Dz Total 0.00001166 0.00001478 -0.00000000 Core -0.00004803 -0.00009606 0.00000000 Electron 0.00005969 0.00011085 -0.00000000 Back ground -0.00000000 0.00000000 -0.00000000 ******************************************************* Total Energy (Hartree) at MD = 1 ******************************************************* Uele = -15.760906280353 Ukin = 24.572738781367 UH0 = -131.905756072662 UH1 = 0.377895405452 Una = -18.783571420156 Unl = -1.949464098545 Uxc0 = -6.373621509081 Uxc1 = -6.373621509081 Ucore = 102.688243958898 Uhub = 0.000000000000 Ucs = 0.000000000000 Uzs = 0.000000000000 Uzo = 0.000000000000 Uef = 0.000000000000 UvdW = 0.000000000000 Utot = -37.747156463809 Note: Utot = Ukin+UH0+UH1+Una+Unl+Uxc0+Uxc1+Ucore+Uhub+Ucs+Uzs+Uzo+Uef+UvdW Uele: band energy Ukin: kinetic energy UH0: electric part of screened Coulomb energy UH1: difference electron-electron Coulomb energy Una: neutral atom potential energy Unl: non-local potential energy Uxc0: exchange-correlation energy for alpha spin Uxc1: exchange-correlation energy for beta spin Ucore: core-core Coulomb energy Uhub: LDA+U energy Ucs: constraint energy for spin orientation Uzs: Zeeman term for spin magnetic moment Uzo: Zeeman term for orbital magnetic moment Uef: electric energy by electric field UvdW: semi-empirical vdW energy (see also PRB 72, 045121(2005) for the energy contributions) ******************************************************* Computational times (s) at MD = 1 ******************************************************* DFT in total = 8.40982 Set_OLP_Kin = 0.31796 Set_Nonlocal = 0.70150 Set_ProExpn_VNA = 0.84298 Set_Hamiltonian = 1.20407 Poisson = 0.86990 diagonalization = 0.01989 Mixing_DM = 0.00177 Force = 0.88305 Total_Energy = 2.51592 Set_Aden_Grid = 0.09548 Set_Orbitals_Grid = 0.17678 Set_Density_Grid = 0.76376 RestartFileDFT = 0.00309 Mulliken_Charge = 0.00374 FFT(2D)_Density = 0.00000 ******************************************************* MD or geometry opt. at MD = 1 ******************************************************* outputting data on grids to files... *********************************************************** *********************************************************** Computational Time (second) *********************************************************** *********************************************************** Min_ID Min_Time Max_ID Max_Time Total Computational Time = 0 16.378 0 16.378 readfile = 0 5.659 0 5.659 truncation = 0 0.000 0 0.000 MD_pac = 0 0.000 0 0.000 OutData = 0 1.484 0 1.484 DFT = 0 8.410 0 8.410 *** In DFT *** Set_OLP_Kin = 0 0.318 0 0.318 Set_Nonlocal = 0 0.701 0 0.701 Set_ProExpn_VNA = 0 0.843 0 0.843 Set_Hamiltonian = 0 1.204 0 1.204 Poisson = 0 0.870 0 0.870 Diagonalization = 0 0.020 0 0.020 Mixing_DM = 0 0.002 0 0.002 Force = 0 0.883 0 0.883 Total_Energy = 0 2.516 0 2.516 Set_Aden_Grid = 0 0.095 0 0.095 Set_Orbitals_Grid = 0 0.177 0 0.177 Set_Density_Grid = 0 0.764 0 0.764 RestartFileDFT = 0 0.003 0 0.003 Mulliken_Charge = 0 0.004 0 0.004 FFT(2D)_Density = 0 0.000 0 0.000 Others = 0 0.010 0 0.010 The calculation was normally finished. ******************************************************* ******************************************************* Welcome to OpenMX Ver. 3.8.5 Copyright (C), 2002-2009, T.Ozaki OpenMX comes with ABSOLUTELY NO WARRANTY. This is free software, and you are welcome to redistribute it under the constitution of the GNU-GPL. ******************************************************* ******************************************************* ******************************************************* read the input file and initializing ******************************************************* Automatic determination of Kerker_factor: 1.804555393029 Your input file was normally read. The system includes 1 species and 60 atoms. ******************************************************* PAO and VPS ******************************************************* PAOs of species C were normally found. VPSs of species C were normally found. C_CA13.vps is j-dependent. In case of scf.SpinOrbit.Coupling=off, j-dependent pseudo potentials are averaged by j-degeneracy, which corresponds to a scalar relativistic treatment. ******************************************************* Fourier transform of PAO and projectors of VNL ******************************************************* Fourier transform of pseudo atomic orbitals Fourier transform of non-local projectors Fourier transform of VNA separable projectors Fourier transform of VNA potentials Fourier transform of product of PAOs ******************************************************* Allocation of atoms to proccesors at MD_iter= 1 ******************************************************* proc = 0 # of atoms= 60 estimated weight= 60.00000 ******************************************************* Analysis of neighbors and setting of grids ******************************************************* TFNAN= 1884 Average FNAN= 31.40000 TSNAN= 704 Average SNAN= 11.73333 CpyCell= 1 ct_AN= 1 FNAN SNAN 33 14 CpyCell= 1 ct_AN= 2 FNAN SNAN 31 13 CpyCell= 1 ct_AN= 3 FNAN SNAN 31 10 CpyCell= 1 ct_AN= 4 FNAN SNAN 31 10 CpyCell= 1 ct_AN= 5 FNAN SNAN 31 13 CpyCell= 1 ct_AN= 6 FNAN SNAN 31 10 CpyCell= 1 ct_AN= 7 FNAN SNAN 31 13 CpyCell= 1 ct_AN= 8 FNAN SNAN 33 14 CpyCell= 1 ct_AN= 9 FNAN SNAN 31 13 CpyCell= 1 ct_AN= 10 FNAN SNAN 31 10 CpyCell= 1 ct_AN= 11 FNAN SNAN 33 13 CpyCell= 1 ct_AN= 12 FNAN SNAN 31 12 CpyCell= 1 ct_AN= 13 FNAN SNAN 31 10 CpyCell= 1 ct_AN= 14 FNAN SNAN 31 10 CpyCell= 1 ct_AN= 15 FNAN SNAN 31 13 CpyCell= 1 ct_AN= 16 FNAN SNAN 31 13 CpyCell= 1 ct_AN= 17 FNAN SNAN 33 14 CpyCell= 1 ct_AN= 18 FNAN SNAN 31 13 CpyCell= 1 ct_AN= 19 FNAN SNAN 31 10 CpyCell= 1 ct_AN= 20 FNAN SNAN 31 10 .......... ...... TFNAN= 1884 Average FNAN= 31.40000 TSNAN= 704 Average SNAN= 11.73333 CpyCell= 2 ct_AN= 1 FNAN SNAN 33 14 CpyCell= 2 ct_AN= 2 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 3 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 4 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 5 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 6 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 7 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 8 FNAN SNAN 33 14 CpyCell= 2 ct_AN= 9 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 10 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 11 FNAN SNAN 33 13 CpyCell= 2 ct_AN= 12 FNAN SNAN 31 12 CpyCell= 2 ct_AN= 13 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 14 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 15 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 16 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 17 FNAN SNAN 33 14 CpyCell= 2 ct_AN= 18 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 19 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 20 FNAN SNAN 31 10 .......... ...... TFNAN= 1884 Average FNAN= 31.40000 TSNAN= 704 Average SNAN= 11.73333 CpyCell= 2 ct_AN= 1 FNAN SNAN 33 14 CpyCell= 2 ct_AN= 2 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 3 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 4 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 5 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 6 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 7 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 8 FNAN SNAN 33 14 CpyCell= 2 ct_AN= 9 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 10 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 11 FNAN SNAN 33 13 CpyCell= 2 ct_AN= 12 FNAN SNAN 31 12 CpyCell= 2 ct_AN= 13 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 14 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 15 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 16 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 17 FNAN SNAN 33 14 CpyCell= 2 ct_AN= 18 FNAN SNAN 31 13 CpyCell= 2 ct_AN= 19 FNAN SNAN 31 10 CpyCell= 2 ct_AN= 20 FNAN SNAN 31 10 .......... ...... The system is bulk. lattice vectors (bohr) A = 22.676711862947, 0.000000000000, 0.000000000000 B = 0.000000000000, 22.676711862947, 0.000000000000 C = 0.000000000000, 0.000000000000, 22.676711862947 reciprocal lattice vectors (bohr^-1) RA = 0.277076559651, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.277076559651, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.277076559651 Grid_Origin -17.749804587507 -11.154205148449 -12.524064368027 Cell_Volume = 11661.119488115972 (Bohr^3) GridVol = 0.019674440341 (Bohr^3) Grid_Origin -17.749804587507 -11.154205148449 -12.524064368027 Cell_Volume = 11661.119488115972 (Bohr^3) GridVol = 0.019674440341 (Bohr^3) Info. of cutoff energy and num. of grids lattice vectors (bohr) A = 22.676711862947, 0.000000000000, 0.000000000000 B = 0.000000000000, 22.676711862947, 0.000000000000 C = 0.000000000000, 0.000000000000, 22.676711862947 reciprocal lattice vectors (bohr^-1) RA = 0.277076559651, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.277076559651, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.277076559651 Required cutoff energy (Ryd) for 3D-grids = 140.0000 Used cutoff energy (Ryd) for 3D-grids = 135.4248, 135.4248, 135.4248 Num. of grids of a-, b-, and c-axes = 84, 84, 84 Grid_Origin -17.749804587507 -11.154205148449 -12.524064368027 Cell_Volume = 11661.119488115972 (Bohr^3) GridVol = 0.019674440341 (Bohr^3) Cell vectors (bohr) of the grid cell (gtv) gtv_a = 0.269960855511, 0.000000000000, 0.000000000000 gtv_b = 0.000000000000, 0.269960855511, 0.000000000000 gtv_c = 0.000000000000, 0.000000000000, 0.269960855511 |gtv_a| = 0.269960855511 |gtv_b| = 0.269960855511 |gtv_c| = 0.269960855511 Num. of grids overlapping with atom 1 = 26601 Num. of grids overlapping with atom 2 = 26604 Num. of grids overlapping with atom 3 = 26612 Num. of grids overlapping with atom 4 = 26635 Num. of grids overlapping with atom 5 = 26632 Num. of grids overlapping with atom 6 = 26620 Num. of grids overlapping with atom 7 = 26627 Num. of grids overlapping with atom 8 = 26607 Num. of grids overlapping with atom 9 = 26607 Num. of grids overlapping with atom 10 = 26606 Num. of grids overlapping with atom 11 = 26635 Num. of grids overlapping with atom 12 = 26616 Num. of grids overlapping with atom 13 = 26637 Num. of grids overlapping with atom 14 = 26610 Num. of grids overlapping with atom 15 = 26611 Num. of grids overlapping with atom 16 = 26619 Num. of grids overlapping with atom 17 = 26637 Num. of grids overlapping with atom 18 = 26629 Num. of grids overlapping with atom 19 = 26608 Num. of grids overlapping with atom 20 = 26606 .......... ...... ******************************************************* SCF calculation at MD = 1 ******************************************************* Calculation of the overlap matrix Calculation of the nonlocal matrix Calculation of the VNA projector matrix ******************* MD= 1 SCF= 1 ******************* Solving the eigenvalue problem... 1 C MulP 2.0001 2.0001 sum 4.0003 2 C MulP 1.9919 1.9919 sum 3.9837 3 C MulP 2.0061 2.0061 sum 4.0122 4 C MulP 2.0061 2.0061 sum 4.0122 5 C MulP 1.9923 1.9923 sum 3.9847 6 C MulP 2.0089 2.0089 sum 4.0178 7 C MulP 1.9922 1.9922 sum 3.9844 8 C MulP 2.0009 2.0009 sum 4.0018 9 C MulP 1.9925 1.9925 sum 3.9849 10 C MulP 2.0072 2.0072 sum 4.0143 11 C MulP 2.0008 2.0008 sum 4.0017 12 C MulP 1.9933 1.9933 sum 3.9865 13 C MulP 2.0072 2.0072 sum 4.0145 14 C MulP 2.0079 2.0079 sum 4.0159 15 C MulP 1.9914 1.9914 sum 3.9828 16 C MulP 1.9937 1.9937 sum 3.9874 17 C MulP 1.9995 1.9995 sum 3.9989 18 C MulP 1.9928 1.9928 sum 3.9857 19 C MulP 2.0068 2.0068 sum 4.0137 20 C MulP 2.0062 2.0062 sum 4.0124 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -88.053364029870 dUele = 1.000000000000 NormRD = 1.000000000000 Criterion = 0.000000001000 ******************* MD= 1 SCF= 2 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0028 2.0028 sum 4.0056 2 C MulP 1.9977 1.9977 sum 3.9954 3 C MulP 2.0000 2.0000 sum 4.0000 4 C MulP 1.9997 1.9997 sum 3.9993 5 C MulP 1.9979 1.9979 sum 3.9957 6 C MulP 2.0003 2.0003 sum 4.0006 7 C MulP 1.9983 1.9983 sum 3.9965 8 C MulP 2.0032 2.0032 sum 4.0063 9 C MulP 1.9982 1.9982 sum 3.9964 10 C MulP 2.0005 2.0005 sum 4.0010 11 C MulP 2.0032 2.0032 sum 4.0065 12 C MulP 1.9983 1.9983 sum 3.9966 13 C MulP 2.0005 2.0005 sum 4.0010 14 C MulP 2.0005 2.0005 sum 4.0009 15 C MulP 1.9980 1.9980 sum 3.9961 16 C MulP 1.9975 1.9975 sum 3.9950 17 C MulP 2.0032 2.0032 sum 4.0064 18 C MulP 1.9985 1.9985 sum 3.9969 19 C MulP 2.0003 2.0003 sum 4.0006 20 C MulP 2.0008 2.0008 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.020592295209 Uele = -107.726799575835 dUele = 19.673435545964 NormRD = 3.683552051031 Criterion = 0.000000001000 ******************* MD= 1 SCF= 3 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0055 2 C MulP 1.9977 1.9977 sum 3.9953 3 C MulP 2.0001 2.0001 sum 4.0001 4 C MulP 1.9997 1.9997 sum 3.9994 5 C MulP 1.9978 1.9978 sum 3.9957 6 C MulP 2.0003 2.0003 sum 4.0006 7 C MulP 1.9982 1.9982 sum 3.9965 8 C MulP 2.0032 2.0032 sum 4.0063 9 C MulP 1.9982 1.9982 sum 3.9964 10 C MulP 2.0005 2.0005 sum 4.0010 11 C MulP 2.0032 2.0032 sum 4.0064 12 C MulP 1.9983 1.9983 sum 3.9966 13 C MulP 2.0005 2.0005 sum 4.0010 14 C MulP 2.0005 2.0005 sum 4.0010 15 C MulP 1.9980 1.9980 sum 3.9960 16 C MulP 1.9975 1.9975 sum 3.9950 17 C MulP 2.0032 2.0032 sum 4.0063 18 C MulP 1.9984 1.9984 sum 3.9969 19 C MulP 2.0003 2.0003 sum 4.0006 20 C MulP 2.0008 2.0008 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -108.342196986096 dUele = 0.615397410261 NormRD = 3.610261734685 Criterion = 0.000000001000 ******************* MD= 1 SCF= 4 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0021 2.0021 sum 4.0041 2 C MulP 1.9971 1.9971 sum 3.9941 3 C MulP 2.0008 2.0008 sum 4.0015 4 C MulP 2.0005 2.0005 sum 4.0010 5 C MulP 1.9972 1.9972 sum 3.9944 6 C MulP 2.0009 2.0009 sum 4.0019 7 C MulP 1.9980 1.9980 sum 3.9960 8 C MulP 2.0031 2.0031 sum 4.0062 9 C MulP 1.9980 1.9980 sum 3.9959 10 C MulP 2.0006 2.0006 sum 4.0012 11 C MulP 2.0028 2.0028 sum 4.0055 12 C MulP 1.9981 1.9981 sum 3.9962 13 C MulP 2.0011 2.0011 sum 4.0021 14 C MulP 2.0011 2.0011 sum 4.0023 15 C MulP 1.9976 1.9976 sum 3.9951 16 C MulP 1.9974 1.9974 sum 3.9948 17 C MulP 2.0024 2.0024 sum 4.0048 18 C MulP 1.9981 1.9981 sum 3.9962 19 C MulP 2.0011 2.0011 sum 4.0022 20 C MulP 2.0006 2.0006 sum 4.0012 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.400000000000 Uele = -120.031340833955 dUele = 11.689143847859 NormRD = 2.217938000585 Criterion = 0.000000001000 ******************* MD= 1 SCF= 5 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0021 2.0021 sum 4.0043 2 C MulP 1.9968 1.9968 sum 3.9937 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0008 2.0008 sum 4.0015 5 C MulP 1.9970 1.9970 sum 3.9939 6 C MulP 2.0011 2.0011 sum 4.0022 7 C MulP 1.9977 1.9977 sum 3.9955 8 C MulP 2.0032 2.0032 sum 4.0065 9 C MulP 1.9977 1.9977 sum 3.9953 10 C MulP 2.0007 2.0007 sum 4.0014 11 C MulP 2.0028 2.0028 sum 4.0056 12 C MulP 1.9979 1.9979 sum 3.9958 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9973 1.9973 sum 3.9946 16 C MulP 1.9973 1.9973 sum 3.9946 17 C MulP 2.0024 2.0024 sum 4.0048 18 C MulP 1.9979 1.9979 sum 3.9958 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0008 2.0008 sum 4.0017 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -127.641735312217 dUele = 7.610394478262 NormRD = 1.366717391593 Criterion = 0.000000001000 ******************* MD= 1 SCF= 6 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0019 2.0019 sum 4.0038 2 C MulP 1.9964 1.9964 sum 3.9928 3 C MulP 2.0012 2.0012 sum 4.0023 4 C MulP 2.0011 2.0011 sum 4.0021 5 C MulP 1.9964 1.9964 sum 3.9927 6 C MulP 2.0016 2.0016 sum 4.0032 7 C MulP 1.9977 1.9977 sum 3.9954 8 C MulP 2.0034 2.0034 sum 4.0067 9 C MulP 1.9978 1.9978 sum 3.9956 10 C MulP 2.0004 2.0004 sum 4.0007 11 C MulP 2.0030 2.0030 sum 4.0060 12 C MulP 1.9979 1.9979 sum 3.9958 13 C MulP 2.0012 2.0012 sum 4.0024 14 C MulP 2.0013 2.0013 sum 4.0027 15 C MulP 1.9969 1.9969 sum 3.9939 16 C MulP 1.9970 1.9970 sum 3.9940 17 C MulP 2.0022 2.0022 sum 4.0043 18 C MulP 1.9976 1.9976 sum 3.9952 19 C MulP 2.0015 2.0015 sum 4.0029 20 C MulP 1.9997 1.9997 sum 3.9994 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -142.115662249851 dUele = 14.473926937634 NormRD = 0.042899606996 Criterion = 0.000000001000 ******************* MD= 1 SCF= 7 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0054 2.0054 sum 4.0107 2 C MulP 1.9981 1.9981 sum 3.9961 3 C MulP 2.0008 2.0008 sum 4.0017 4 C MulP 2.0006 2.0006 sum 4.0011 5 C MulP 1.9982 1.9982 sum 3.9964 6 C MulP 1.9994 1.9994 sum 3.9988 7 C MulP 1.9971 1.9971 sum 3.9942 8 C MulP 2.0051 2.0051 sum 4.0102 9 C MulP 1.9963 1.9963 sum 3.9927 10 C MulP 2.0020 2.0020 sum 4.0039 11 C MulP 2.0037 2.0037 sum 4.0074 12 C MulP 1.9976 1.9976 sum 3.9952 13 C MulP 2.0021 2.0021 sum 4.0042 14 C MulP 2.0027 2.0027 sum 4.0055 15 C MulP 1.9981 1.9981 sum 3.9963 16 C MulP 1.9986 1.9986 sum 3.9972 17 C MulP 2.0053 2.0053 sum 4.0106 18 C MulP 1.9987 1.9987 sum 3.9975 19 C MulP 2.0021 2.0021 sum 4.0043 20 C MulP 2.0052 2.0052 sum 4.0105 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -143.865184200824 dUele = 1.749521950972 NormRD = 0.037412104498 Criterion = 0.000000001000 ******************* MD= 1 SCF= 8 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0010 2.0010 sum 4.0020 2 C MulP 1.9951 1.9951 sum 3.9903 3 C MulP 2.0008 2.0008 sum 4.0016 4 C MulP 1.9996 1.9996 sum 3.9992 5 C MulP 1.9958 1.9958 sum 3.9916 6 C MulP 2.0014 2.0014 sum 4.0027 7 C MulP 1.9973 1.9973 sum 3.9946 8 C MulP 2.0028 2.0028 sum 4.0057 9 C MulP 1.9980 1.9980 sum 3.9959 10 C MulP 1.9979 1.9979 sum 3.9958 11 C MulP 2.0033 2.0033 sum 4.0065 12 C MulP 1.9970 1.9970 sum 3.9940 13 C MulP 1.9991 1.9991 sum 3.9981 14 C MulP 1.9983 1.9983 sum 3.9966 15 C MulP 1.9957 1.9957 sum 3.9914 16 C MulP 1.9955 1.9955 sum 3.9910 17 C MulP 2.0013 2.0013 sum 4.0025 18 C MulP 1.9963 1.9963 sum 3.9925 19 C MulP 2.0001 2.0001 sum 4.0002 20 C MulP 1.9962 1.9962 sum 3.9924 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -143.926628074039 dUele = 0.061443873215 NormRD = 0.036835120840 Criterion = 0.000000001000 ******************* MD= 1 SCF= 9 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0021 2.0021 sum 4.0042 2 C MulP 1.9967 1.9967 sum 3.9933 3 C MulP 2.0016 2.0016 sum 4.0033 4 C MulP 2.0023 2.0023 sum 4.0047 5 C MulP 1.9963 1.9963 sum 3.9927 6 C MulP 2.0027 2.0027 sum 4.0054 7 C MulP 1.9982 1.9982 sum 3.9964 8 C MulP 2.0039 2.0039 sum 4.0078 9 C MulP 1.9981 1.9981 sum 3.9962 10 C MulP 2.0030 2.0030 sum 4.0060 11 C MulP 2.0036 2.0036 sum 4.0072 12 C MulP 1.9985 1.9985 sum 3.9971 13 C MulP 2.0030 2.0030 sum 4.0060 14 C MulP 2.0033 2.0033 sum 4.0066 15 C MulP 1.9974 1.9974 sum 3.9948 16 C MulP 1.9971 1.9971 sum 3.9943 17 C MulP 2.0026 2.0026 sum 4.0052 18 C MulP 1.9980 1.9980 sum 3.9959 19 C MulP 2.0017 2.0017 sum 4.0034 20 C MulP 2.0010 2.0010 sum 4.0020 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.247969996269 dUele = 0.321341922229 NormRD = 0.014792027302 Criterion = 0.000000001000 ******************* MD= 1 SCF=10 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0031 2.0031 sum 4.0061 2 C MulP 1.9967 1.9967 sum 3.9934 3 C MulP 2.0006 2.0006 sum 4.0011 4 C MulP 1.9997 1.9997 sum 3.9994 5 C MulP 1.9969 1.9969 sum 3.9938 6 C MulP 2.0000 2.0000 sum 4.0001 7 C MulP 1.9968 1.9968 sum 3.9937 8 C MulP 2.0036 2.0036 sum 4.0072 9 C MulP 1.9967 1.9967 sum 3.9934 10 C MulP 1.9990 1.9990 sum 3.9980 11 C MulP 2.0028 2.0028 sum 4.0056 12 C MulP 1.9971 1.9971 sum 3.9942 13 C MulP 2.0006 2.0006 sum 4.0012 14 C MulP 2.0007 2.0007 sum 4.0014 15 C MulP 1.9969 1.9969 sum 3.9937 16 C MulP 1.9975 1.9975 sum 3.9951 17 C MulP 2.0033 2.0033 sum 4.0066 18 C MulP 1.9978 1.9978 sum 3.9956 19 C MulP 2.0019 2.0019 sum 4.0039 20 C MulP 2.0017 2.0017 sum 4.0035 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.303190909843 dUele = 0.055220913574 NormRD = 0.008385362226 Criterion = 0.000000001000 ******************* MD= 1 SCF=11 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0031 2.0031 sum 4.0062 2 C MulP 1.9968 1.9968 sum 3.9936 3 C MulP 2.0015 2.0015 sum 4.0031 4 C MulP 2.0011 2.0011 sum 4.0021 5 C MulP 1.9971 1.9971 sum 3.9942 6 C MulP 2.0014 2.0014 sum 4.0029 7 C MulP 1.9978 1.9978 sum 3.9955 8 C MulP 2.0042 2.0042 sum 4.0083 9 C MulP 1.9977 1.9977 sum 3.9953 10 C MulP 2.0014 2.0014 sum 4.0027 11 C MulP 2.0038 2.0038 sum 4.0076 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0012 2.0012 sum 4.0023 14 C MulP 2.0010 2.0010 sum 4.0020 15 C MulP 1.9971 1.9971 sum 3.9942 16 C MulP 1.9969 1.9969 sum 3.9937 17 C MulP 2.0028 2.0028 sum 4.0057 18 C MulP 1.9974 1.9974 sum 3.9949 19 C MulP 2.0006 2.0006 sum 4.0012 20 C MulP 2.0002 2.0002 sum 4.0004 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.319869271332 dUele = 0.016678361489 NormRD = 0.004868420896 Criterion = 0.000000001000 ******************* MD= 1 SCF=12 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0026 2.0026 sum 4.0051 2 C MulP 1.9964 1.9964 sum 3.9928 3 C MulP 2.0008 2.0008 sum 4.0016 4 C MulP 2.0005 2.0005 sum 4.0010 5 C MulP 1.9966 1.9966 sum 3.9932 6 C MulP 2.0009 2.0009 sum 4.0018 7 C MulP 1.9974 1.9974 sum 3.9948 8 C MulP 2.0038 2.0038 sum 4.0075 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0005 2.0005 sum 4.0010 11 C MulP 2.0034 2.0034 sum 4.0068 12 C MulP 1.9977 1.9977 sum 3.9954 13 C MulP 2.0014 2.0014 sum 4.0028 14 C MulP 2.0016 2.0016 sum 4.0031 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0031 2.0031 sum 4.0061 18 C MulP 1.9977 1.9977 sum 3.9953 19 C MulP 2.0015 2.0015 sum 4.0031 20 C MulP 2.0008 2.0008 sum 4.0016 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.321730663209 dUele = 0.001861391876 NormRD = 0.001934045002 Criterion = 0.000000001000 ******************* MD= 1 SCF=13 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9965 1.9965 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9949 10 C MulP 2.0007 2.0007 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0013 2.0013 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9941 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0027 20 C MulP 2.0007 2.0007 sum 4.0014 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322066318314 dUele = 0.000335655106 NormRD = 0.000515124766 Criterion = 0.000000001000 ******************* MD= 1 SCF=14 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9974 1.9974 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0007 2.0007 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0025 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0008 2.0008 sum 4.0016 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322356996975 dUele = 0.000290678661 NormRD = 0.000325733975 Criterion = 0.000000001000 ******************* MD= 1 SCF=15 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0014 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322620302941 dUele = 0.000263305966 NormRD = 0.000141748706 Criterion = 0.000000001000 ******************* MD= 1 SCF=16 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322712597603 dUele = 0.000092294661 NormRD = 0.000062670848 Criterion = 0.000000001000 ******************* MD= 1 SCF=17 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322732331999 dUele = 0.000019734396 NormRD = 0.000007285201 Criterion = 0.000000001000 ******************* MD= 1 SCF=18 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322752341824 dUele = 0.000020009826 NormRD = 0.000008914976 Criterion = 0.000000001000 ******************* MD= 1 SCF=19 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755047099 dUele = 0.000002705275 NormRD = 0.000004656851 Criterion = 0.000000001000 ******************* MD= 1 SCF=20 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755269304 dUele = 0.000000222205 NormRD = 0.000000890574 Criterion = 0.000000001000 ******************* MD= 1 SCF=21 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755207575 dUele = 0.000000061729 NormRD = 0.000000389456 Criterion = 0.000000001000 ******************* MD= 1 SCF=22 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755142202 dUele = 0.000000065373 NormRD = 0.000000210598 Criterion = 0.000000001000 ******************* MD= 1 SCF=23 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755096201 dUele = 0.000000046001 NormRD = 0.000000059682 Criterion = 0.000000001000 ******************* MD= 1 SCF=24 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755077464 dUele = 0.000000018737 NormRD = 0.000000019169 Criterion = 0.000000001000 ******************* MD= 1 SCF=25 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755065224 dUele = 0.000000012240 NormRD = 0.000000011298 Criterion = 0.000000001000 ******************* MD= 1 SCF=26 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755062609 dUele = 0.000000002616 NormRD = 0.000000003473 Criterion = 0.000000001000 ******************* MD= 1 SCF=27 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 C MulP 2.0027 2.0027 sum 4.0053 2 C MulP 1.9966 1.9966 sum 3.9931 3 C MulP 2.0011 2.0011 sum 4.0021 4 C MulP 2.0007 2.0007 sum 4.0015 5 C MulP 1.9967 1.9967 sum 3.9934 6 C MulP 2.0012 2.0012 sum 4.0023 7 C MulP 1.9975 1.9975 sum 3.9949 8 C MulP 2.0038 2.0038 sum 4.0076 9 C MulP 1.9974 1.9974 sum 3.9948 10 C MulP 2.0006 2.0006 sum 4.0013 11 C MulP 2.0033 2.0033 sum 4.0067 12 C MulP 1.9976 1.9976 sum 3.9953 13 C MulP 2.0013 2.0013 sum 4.0026 14 C MulP 2.0014 2.0014 sum 4.0027 15 C MulP 1.9970 1.9970 sum 3.9940 16 C MulP 1.9971 1.9971 sum 3.9942 17 C MulP 2.0029 2.0029 sum 4.0058 18 C MulP 1.9976 1.9976 sum 3.9953 19 C MulP 2.0014 2.0014 sum 4.0028 20 C MulP 2.0007 2.0007 sum 4.0015 .......... ...... Sum of MulP: up = 120.00000 down = 120.00000 total= 240.00000 ideal(neutral)= 240.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.040000000000 Uele = -144.322755062198 dUele = 0.000000000411 NormRD = 0.000000001683 Criterion = 0.000000001000 Force calculation Force calculation #1 Force calculation #2 Force calculation #3 Force calculation #4 Force calculation #5 Total Energy Force calculation #6 Force calculation #7 ******************************************************* Dipole moment (Debye) ******************************************************* Absolute D 0.00717797 Dx Dy Dz Total -0.00474383 0.00093405 0.00530537 Core -3993.44915033 29.99487369 -805.64591100 Electron 3993.44440650 -29.99393964 805.65121637 Back ground 0.00000000 -0.00000000 0.00000000 ******************************************************* Total Energy (Hartree) at MD = 1 ******************************************************* Uele = -144.322755062198 Ukin = 219.148217549882 UH0 = -2843.055056298982 UH1 = 4.224145799984 Una = -152.295155346192 Unl = -22.485311765347 Uxc0 = -54.793347615045 Uxc1 = -54.793347615045 Ucore = 2560.202650328739 Uhub = 0.000000000000 Ucs = 0.000000000000 Uzs = 0.000000000000 Uzo = 0.000000000000 Uef = 0.000000000000 UvdW = 0.000000000000 Utot = -343.847204962005 Note: Utot = Ukin+UH0+UH1+Una+Unl+Uxc0+Uxc1+Ucore+Uhub+Ucs+Uzs+Uzo+Uef+UvdW Uele: band energy Ukin: kinetic energy UH0: electric part of screened Coulomb energy UH1: difference electron-electron Coulomb energy Una: neutral atom potential energy Unl: non-local potential energy Uxc0: exchange-correlation energy for alpha spin Uxc1: exchange-correlation energy for beta spin Ucore: core-core Coulomb energy Uhub: LDA+U energy Ucs: constraint energy for spin orientation Uzs: Zeeman term for spin magnetic moment Uzo: Zeeman term for orbital magnetic moment Uef: electric energy by electric field UvdW: semi-empirical vdW energy (see also PRB 72, 045121(2005) for the energy contributions) ******************************************************* Computational times (s) at MD = 1 ******************************************************* DFT in total = 161.95055 Set_OLP_Kin = 6.94313 Set_Nonlocal = 16.91684 Set_ProExpn_VNA = 13.78910 Set_Hamiltonian = 8.95390 Poisson = 0.68524 diagonalization = 62.92905 Mixing_DM = 4.23777 Force = 5.45062 Total_Energy = 31.25548 Set_Aden_Grid = 0.22958 Set_Orbitals_Grid = 0.49562 Set_Density_Grid = 7.22955 RestartFileDFT = 0.00583 Mulliken_Charge = 0.03026 FFT(2D)_Density = 0.49325 ******************************************************* MD or geometry opt. at MD = 1 ******************************************************* outputting data on grids to files... *********************************************************** *********************************************************** Computational Time (second) *********************************************************** *********************************************************** Min_ID Min_Time Max_ID Max_Time Total Computational Time = 0 170.389 0 170.389 readfile = 0 3.082 0 3.082 truncation = 0 0.000 0 0.000 MD_pac = 0 0.000 0 0.000 OutData = 0 1.245 0 1.245 DFT = 0 161.951 0 161.951 *** In DFT *** Set_OLP_Kin = 0 6.943 0 6.943 Set_Nonlocal = 0 16.917 0 16.917 Set_ProExpn_VNA = 0 13.789 0 13.789 Set_Hamiltonian = 0 8.954 0 8.954 Poisson = 0 0.685 0 0.685 Diagonalization = 0 62.929 0 62.929 Mixing_DM = 0 4.238 0 4.238 Force = 0 5.451 0 5.451 Total_Energy = 0 31.255 0 31.255 Set_Aden_Grid = 0 0.230 0 0.230 Set_Orbitals_Grid = 0 0.496 0 0.496 Set_Density_Grid = 0 7.230 0 7.230 RestartFileDFT = 0 0.006 0 0.006 Mulliken_Charge = 0 0.030 0 0.030 FFT(2D)_Density = 0 0.493 0 0.493 Others = 0 2.305 0 2.305 The calculation was normally finished. ******************************************************* ******************************************************* Welcome to OpenMX Ver. 3.8.5 Copyright (C), 2002-2009, T.Ozaki OpenMX comes with ABSOLUTELY NO WARRANTY. This is free software, and you are welcome to redistribute it under the constitution of the GNU-GPL. ******************************************************* ******************************************************* ******************************************************* read the input file and initializing ******************************************************* p= 0 l= 0 Primitive= 2 Contracted= 1 p= 0 l= 1 Primitive= 2 Contracted= 1 p= 0 l= 2 Primitive= 0 Contracted= 0 p= 0 l= 3 Primitive= 0 Contracted= 0 p= 0 l= 4 Primitive= 0 Contracted= 0 p= 1 l= 0 Primitive= 2 Contracted= 1 p= 1 l= 1 Primitive= 2 Contracted= 1 p= 1 l= 2 Primitive= 0 Contracted= 0 p= 1 l= 3 Primitive= 0 Contracted= 0 p= 1 l= 4 Primitive= 0 Contracted= 0 automatically determied UnitCell(Ang.) from atomic positions and Rc of PAOs (margin= 10.00%) 8.745140 0.000000 0.000000 0.000000 6.985140 0.000000 0.000000 0.000000 6.985140 widened unit cell to fit energy cutoff (Ang.) A = 9.501715 0.000000 0.000000 (70) B = 0.000000 7.329894 0.000000 (54) C = 0.000000 0.000000 7.329894 (54) Your input file was normally read. The system includes 2 species and 2 atoms. ******************************************************* PAO and VPS ******************************************************* PAOs of species O were normally found. PAOs of species C were normally found. VPSs of species O were normally found. O_PBE13.vps is j-dependent. In case of scf.SpinOrbit.Coupling=off, j-dependent pseudo potentials are averaged by j-degeneracy, which corresponds to a scalar relativistic treatment. VPSs of species C were normally found. C_PBE13.vps is j-dependent. In case of scf.SpinOrbit.Coupling=off, j-dependent pseudo potentials are averaged by j-degeneracy, which corresponds to a scalar relativistic treatment. ******************************************************* Fourier transform of PAO and projectors of VNL ******************************************************* Fourier transform of pseudo atomic orbitals Fourier transform of non-local projectors Fourier transform of VNA separable projectors Fourier transform of VNA potentials Fourier transform of product of PAOs ******************************************************* Allocation of atoms to proccesors at MD_iter= 1 ******************************************************* proc = 0 # of atoms= 2 estimated weight= 2.00000 ******************************************************* Analysis of neighbors and setting of grids ******************************************************* TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 1 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 1 ct_AN= 2 FNAN SNAN 1 0 TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 1 0 TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 1 0 The system is molecule. lattice vectors (bohr) A = 17.955637770240, 0.000000000000, 0.000000000000 B = 0.000000000000, 13.851491994185, 0.000000000000 C = 0.000000000000, 0.000000000000, 13.851491994185 reciprocal lattice vectors (bohr^-1) RA = 0.349928272534, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.453610723655, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.453610723655 Grid_Origin -7.337783538755 -6.797491441591 -6.797491441591 Cell_Volume = 3445.037441039801 (Bohr^3) GridVol = 0.016877510489 (Bohr^3) Grid_Origin -7.337783538755 -6.797491441591 -6.797491441591 Cell_Volume = 3445.037441039801 (Bohr^3) GridVol = 0.016877510489 (Bohr^3) Info. of cutoff energy and num. of grids lattice vectors (bohr) A = 17.955637770240, 0.000000000000, 0.000000000000 B = 0.000000000000, 13.851491994185, 0.000000000000 C = 0.000000000000, 0.000000000000, 13.851491994185 reciprocal lattice vectors (bohr^-1) RA = 0.349928272534, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.453610723655, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.453610723655 Required cutoff energy (Ryd) for 3D-grids = 150.0000 Used cutoff energy (Ryd) for 3D-grids = 150.0010, 150.0010, 150.0010 Num. of grids of a-, b-, and c-axes = 70, 54, 54 Grid_Origin -7.337783538755 -6.797491441591 -6.797491441591 Cell_Volume = 3445.037441039801 (Bohr^3) GridVol = 0.016877510489 (Bohr^3) Cell vectors (bohr) of the grid cell (gtv) gtv_a = 0.256509111003, 0.000000000000, 0.000000000000 gtv_b = 0.000000000000, 0.256509111003, 0.000000000000 gtv_c = 0.000000000000, 0.000000000000, 0.256509111003 |gtv_a| = 0.256509111003 |gtv_b| = 0.256509111003 |gtv_c| = 0.256509111003 Num. of grids overlapping with atom 1 = 53508 Num. of grids overlapping with atom 2 = 53508 ******************************************************* Orbital optimization SCF calculation at MD = 1 ******************************************************* Calculation of the overlap matrix Calculation of the nonlocal matrix Calculation of the VNA projector matrix ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 1 L-SCF= 1 Solving the eigenvalue problem... 1 O MulP 3.7519 3.7519 sum 7.5039 2 C MulP 1.2481 1.2481 sum 2.4961 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.010000000000 Uele = -4.628744758157 dUele = 1.000000000000 NormRD = 1.000000000000 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 2 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 1.0656 1.0656 sum 2.1311 2 C MulP 3.9344 3.9344 sum 7.8689 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001422209813 Uele = -5.398588554187 dUele = 0.769843796030 NormRD = 2.455872828571 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 3 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 1.0666 1.0666 sum 2.1331 2 C MulP 3.9334 3.9334 sum 7.8669 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.391402711831 dUele = 0.007185842356 NormRD = 2.450554261104 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 4 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.7618 3.7618 sum 7.5236 2 C MulP 1.2382 1.2382 sum 2.4764 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.490939750695 dUele = 0.099537038864 NormRD = 0.765622637988 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 5 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.1716 2.1716 sum 4.3432 2 C MulP 2.8284 2.8284 sum 5.6568 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -4.592684427396 dUele = 0.898255323299 NormRD = 1.151028685846 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 6 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1917 3.1917 sum 6.3834 2 C MulP 1.8083 1.8083 sum 3.6166 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -4.829014590365 dUele = 0.236330162969 NormRD = 0.534743702833 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 7 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1247 3.1247 sum 6.2494 2 C MulP 1.8753 1.8753 sum 3.7506 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -4.820328657643 dUele = 0.008685932722 NormRD = 0.511609255143 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 8 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.4597 3.4597 sum 6.9195 2 C MulP 1.5403 1.5403 sum 3.0805 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.137444944055 dUele = 0.317116286412 NormRD = 0.358991009569 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF= 9 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1568 3.1568 sum 6.3136 2 C MulP 1.8432 1.8432 sum 3.6864 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.008863340043 dUele = 0.128581604012 NormRD = 0.048594833483 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=10 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1195 3.1195 sum 6.2390 2 C MulP 1.8805 1.8805 sum 3.7610 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.001935581804 dUele = 0.006927758239 NormRD = 0.015460106900 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=11 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1269 3.1269 sum 6.2538 2 C MulP 1.8731 1.8731 sum 3.7462 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.006733134514 dUele = 0.004797552710 NormRD = 0.011196192434 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=12 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1233 3.1233 sum 6.2467 2 C MulP 1.8767 1.8767 sum 3.7533 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.006107452784 dUele = 0.000625681730 NormRD = 0.007354543280 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=13 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1174 3.1174 sum 6.2348 2 C MulP 1.8826 1.8826 sum 3.7652 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.005016651571 dUele = 0.001090801213 NormRD = 0.000804852042 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=14 L-SCF=14 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1167 3.1167 sum 6.2334 2 C MulP 1.8833 1.8833 sum 3.7666 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.004856068880 dUele = 0.000160582691 NormRD = 0.000065997238 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=15 L-SCF=15 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1166 3.1166 sum 6.2332 2 C MulP 1.8834 1.8834 sum 3.7668 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.004846545420 dUele = 0.000009523460 NormRD = 0.000001303508 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=16 L-SCF=16 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1166 3.1166 sum 6.2332 2 C MulP 1.8834 1.8834 sum 3.7668 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.004845906705 dUele = 0.000000638715 NormRD = 0.000000785962 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=17 L-SCF=17 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1166 3.1166 sum 6.2332 2 C MulP 1.8834 1.8834 sum 3.7668 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.004846228260 dUele = 0.000000321555 NormRD = 0.000000011544 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=18 L-SCF=18 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1166 3.1166 sum 6.2332 2 C MulP 1.8834 1.8834 sum 3.7668 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.004846221392 dUele = 0.000000006868 NormRD = 0.000000008925 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=19 L-SCF=19 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1166 3.1166 sum 6.2332 2 C MulP 1.8834 1.8834 sum 3.7668 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.092019498060 Uele = -5.004846224181 dUele = 0.000000002789 NormRD = 0.000000000008 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 1 G-SCF=20 L-SCF=20 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1166 3.1166 sum 6.2332 2 C MulP 1.8834 1.8834 sum 3.7668 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.113116622295 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.004846224178 dUele = 0.000000000002 NormRD = 0.000000000000 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=21 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1411 3.1411 sum 6.2821 2 C MulP 1.8589 1.8589 sum 3.7179 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.976104157436 dUele = 0.028742066743 NormRD = 0.024654666173 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=22 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.8949 2.8949 sum 5.7899 2 C MulP 2.1051 2.1051 sum 4.2101 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.895774568497 dUele = 0.080329588939 NormRD = 0.239201184233 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=23 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.8977 2.8977 sum 5.7954 2 C MulP 2.1023 2.1023 sum 4.2046 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.042909742324 Uele = -4.896477176520 dUele = 0.000702608023 NormRD = 0.236397493503 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=24 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0092 3.0092 sum 6.0184 2 C MulP 1.9908 1.9908 sum 3.9816 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.057918857519 Uele = -4.927868130049 dUele = 0.031390953529 NormRD = 0.120340114280 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=25 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0785 3.0785 sum 6.1570 2 C MulP 1.9215 1.9215 sum 3.8430 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.950814482857 dUele = 0.022946352807 NormRD = 0.045583133837 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=26 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1070 3.1070 sum 6.2139 2 C MulP 1.8930 1.8930 sum 3.7861 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.961200809932 dUele = 0.010386327075 NormRD = 0.014184764190 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=27 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1153 3.1153 sum 6.2306 2 C MulP 1.8847 1.8847 sum 3.7694 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.964384632873 dUele = 0.003183822941 NormRD = 0.004994465752 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=28 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1144 3.1144 sum 6.2288 2 C MulP 1.8856 1.8856 sum 3.7712 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.964694802772 dUele = 0.000310169899 NormRD = 0.005196439963 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=29 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1187 3.1187 sum 6.2373 2 C MulP 1.8813 1.8813 sum 3.7627 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.966248073670 dUele = 0.001553270898 NormRD = 0.000422843777 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=30 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1190 3.1190 sum 6.2380 2 C MulP 1.8810 1.8810 sum 3.7620 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.966396914661 dUele = 0.000148840991 NormRD = 0.000025667861 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=31 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1190 3.1190 sum 6.2381 2 C MulP 1.8810 1.8810 sum 3.7619 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.966403518519 dUele = 0.000006603858 NormRD = 0.000000470509 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=32 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1190 3.1190 sum 6.2381 2 C MulP 1.8810 1.8810 sum 3.7619 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.966403396937 dUele = 0.000000121582 NormRD = 0.000000051464 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=33 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1190 3.1190 sum 6.2381 2 C MulP 1.8810 1.8810 sum 3.7619 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067621038101 Uele = -4.966403407336 dUele = 0.000000010399 NormRD = 0.000000000773 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 2 G-SCF=34 L-SCF=14 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1190 3.1190 sum 6.2381 2 C MulP 1.8810 1.8810 sum 3.7619 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.080573572700 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.966403407513 dUele = 0.000000000177 NormRD = 0.000000000030 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=35 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1497 3.1497 sum 6.2993 2 C MulP 1.8503 1.8503 sum 3.7007 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.933238221687 dUele = 0.033165185827 NormRD = 0.030946448634 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=36 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.8372 2.8372 sum 5.6744 2 C MulP 2.1628 2.1628 sum 4.3256 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.836423070362 dUele = 0.096815151324 NormRD = 0.301229913902 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=37 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.8408 2.8408 sum 5.6816 2 C MulP 2.1592 2.1592 sum 4.3184 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.041953435711 Uele = -4.837260398398 dUele = 0.000837328036 NormRD = 0.297618211413 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=38 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.9831 2.9831 sum 5.9662 2 C MulP 2.0169 2.0169 sum 4.0338 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.056673460310 Uele = -4.874504688924 dUele = 0.037244290525 NormRD = 0.151678458110 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=39 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0702 3.0702 sum 6.1404 2 C MulP 1.9298 1.9298 sum 3.8596 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.902352965227 dUele = 0.027848276304 NormRD = 0.058503243919 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=40 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1062 3.1062 sum 6.2125 2 C MulP 1.8938 1.8938 sum 3.7875 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.915356282683 dUele = 0.013003317455 NormRD = 0.018854016511 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=41 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1170 3.1170 sum 6.2340 2 C MulP 1.8830 1.8830 sum 3.7660 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.919472445063 dUele = 0.004116162380 NormRD = 0.006965563842 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=42 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1150 3.1150 sum 6.2301 2 C MulP 1.8850 1.8850 sum 3.7699 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.919547762126 dUele = 0.000075317064 NormRD = 0.007970238075 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=43 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1219 3.1219 sum 6.2437 2 C MulP 1.8781 1.8781 sum 3.7563 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.922086861958 dUele = 0.002539099832 NormRD = 0.000361807999 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=44 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1221 3.1221 sum 6.2443 2 C MulP 1.8779 1.8779 sum 3.7557 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.922206755885 dUele = 0.000119893927 NormRD = 0.000039582286 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=45 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1222 3.1222 sum 6.2444 2 C MulP 1.8778 1.8778 sum 3.7556 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.922216149138 dUele = 0.000009393253 NormRD = 0.000001088932 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=46 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1222 3.1222 sum 6.2444 2 C MulP 1.8778 1.8778 sum 3.7556 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.922215951066 dUele = 0.000000198073 NormRD = 0.000000070036 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=47 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1222 3.1222 sum 6.2444 2 C MulP 1.8778 1.8778 sum 3.7556 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.066578228624 Uele = -4.922215968169 dUele = 0.000000017104 NormRD = 0.000000001136 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 3 G-SCF=48 L-SCF=14 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1222 3.1222 sum 6.2444 2 C MulP 1.8778 1.8778 sum 3.7556 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.050314053234 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.922215967940 dUele = 0.000000000230 NormRD = 0.000000000041 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=49 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1484 3.1484 sum 6.2968 2 C MulP 1.8516 1.8516 sum 3.7032 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.896980436797 dUele = 0.025235531143 NormRD = 0.026522620777 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=50 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.8870 2.8870 sum 5.7741 2 C MulP 2.1130 2.1130 sum 4.2259 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.814452772522 dUele = 0.082527664274 NormRD = 0.253736066288 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=51 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.8900 2.8900 sum 5.7799 2 C MulP 2.1100 2.1100 sum 4.2201 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.042883161542 Uele = -4.815185863092 dUele = 0.000733090569 NormRD = 0.250760156993 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=52 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0084 3.0084 sum 6.0167 2 C MulP 1.9916 1.9916 sum 3.9833 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.057922364968 Uele = -4.848059306295 dUele = 0.032873443203 NormRD = 0.127775564140 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=53 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0816 3.0816 sum 6.1633 2 C MulP 1.9184 1.9184 sum 3.8367 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.872238464433 dUele = 0.024179158138 NormRD = 0.048712588420 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=54 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1119 3.1119 sum 6.2238 2 C MulP 1.8881 1.8881 sum 3.7762 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.883289787034 dUele = 0.011051322601 NormRD = 0.015307730209 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=55 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1208 3.1208 sum 6.2416 2 C MulP 1.8792 1.8792 sum 3.7584 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.886705191083 dUele = 0.003415404049 NormRD = 0.005426341682 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=56 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1199 3.1199 sum 6.2398 2 C MulP 1.8801 1.8801 sum 3.7602 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.886865748929 dUele = 0.000160557846 NormRD = 0.005610294402 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=57 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1248 3.1248 sum 6.2495 2 C MulP 1.8752 1.8752 sum 3.7505 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.888722219779 dUele = 0.001856470849 NormRD = 0.000161980860 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=58 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1249 3.1249 sum 6.2498 2 C MulP 1.8751 1.8751 sum 3.7502 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.888774204124 dUele = 0.000051984345 NormRD = 0.000007232300 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=59 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1249 3.1249 sum 6.2499 2 C MulP 1.8751 1.8751 sum 3.7501 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.888774880842 dUele = 0.000000676718 NormRD = 0.000000722968 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=60 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1249 3.1249 sum 6.2499 2 C MulP 1.8751 1.8751 sum 3.7501 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.888774683466 dUele = 0.000000197376 NormRD = 0.000000061425 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=61 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1249 3.1249 sum 6.2499 2 C MulP 1.8751 1.8751 sum 3.7501 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.067772450166 Uele = -4.888774691044 dUele = 0.000000007578 NormRD = 0.000000000649 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 4 G-SCF=62 L-SCF=14 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1249 3.1249 sum 6.2499 2 C MulP 1.8751 1.8751 sum 3.7501 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.032047053955 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.888774690946 dUele = 0.000000000098 NormRD = 0.000000000004 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=63 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1469 3.1469 sum 6.2937 2 C MulP 1.8531 1.8531 sum 3.7063 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.869490135021 dUele = 0.019284555925 NormRD = 0.022247753326 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=64 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.9327 2.9327 sum 5.8654 2 C MulP 2.0673 2.0673 sum 4.1346 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.800414736319 dUele = 0.069075398703 NormRD = 0.209354182328 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=65 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.9350 2.9350 sum 5.8701 2 C MulP 2.0650 2.0650 sum 4.1299 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.043913073966 Uele = -4.801040378487 dUele = 0.000625642168 NormRD = 0.206956720737 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=66 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0317 3.0317 sum 6.0633 2 C MulP 1.9683 1.9683 sum 3.9367 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.059255390862 Uele = -4.829434672224 dUele = 0.028394293737 NormRD = 0.105307929772 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=67 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0921 3.0921 sum 6.1842 2 C MulP 1.9079 1.9079 sum 3.8158 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.849981227410 dUele = 0.020546555186 NormRD = 0.039572440371 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=68 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1169 3.1169 sum 6.2338 2 C MulP 1.8831 1.8831 sum 3.7662 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.859145965960 dUele = 0.009164738550 NormRD = 0.012098820268 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=69 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1241 3.1241 sum 6.2481 2 C MulP 1.8759 1.8759 sum 3.7519 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.861904451759 dUele = 0.002758485799 NormRD = 0.004110555101 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=70 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1239 3.1239 sum 6.2478 2 C MulP 1.8761 1.8761 sum 3.7522 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.862107689171 dUele = 0.000203237413 NormRD = 0.003789950815 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=71 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1271 3.1271 sum 6.2543 2 C MulP 1.8729 1.8729 sum 3.7457 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.863387842947 dUele = 0.001280153775 NormRD = 0.000118638889 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=72 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1272 3.1272 sum 6.2545 2 C MulP 1.8728 1.8728 sum 3.7455 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.863413053808 dUele = 0.000025210862 NormRD = 0.000021271834 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=73 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1273 3.1273 sum 6.2545 2 C MulP 1.8727 1.8727 sum 3.7455 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.863419765700 dUele = 0.000006711891 NormRD = 0.000000496397 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=74 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1273 3.1273 sum 6.2545 2 C MulP 1.8727 1.8727 sum 3.7455 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.863419598390 dUele = 0.000000167310 NormRD = 0.000000047330 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=75 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1273 3.1273 sum 6.2545 2 C MulP 1.8727 1.8727 sum 3.7455 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.068998646253 Uele = -4.863419602135 dUele = 0.000000003746 NormRD = 0.000000000275 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 5 G-SCF=76 L-SCF=14 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1273 3.1273 sum 6.2545 2 C MulP 1.8727 1.8727 sum 3.7455 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.020751408221 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.863419601998 dUele = 0.000000000137 NormRD = 0.000000000010 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=77 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1455 3.1455 sum 6.2909 2 C MulP 1.8545 1.8545 sum 3.7091 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.848494445854 dUele = 0.014925156144 NormRD = 0.018486391031 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=78 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.9712 2.9712 sum 5.9424 2 C MulP 2.0288 2.0288 sum 4.0576 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -4.791169295113 dUele = 0.057325150740 NormRD = 0.171392596421 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=79 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.9730 2.9730 sum 5.9461 2 C MulP 2.0270 2.0270 sum 4.0539 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.044928402878 Uele = -4.791695555968 dUele = 0.000526260855 NormRD = 0.169474466159 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=80 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0514 3.0514 sum 6.1029 2 C MulP 1.9486 1.9486 sum 3.8971 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.060535881312 Uele = -4.815908099529 dUele = 0.024212543560 NormRD = 0.086052642583 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=81 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1009 3.1009 sum 6.2019 2 C MulP 1.8991 1.8991 sum 3.7981 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.833172981322 dUele = 0.017264881794 NormRD = 0.031849659067 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=82 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1210 3.1210 sum 6.2421 2 C MulP 1.8790 1.8790 sum 3.7579 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.840688793587 dUele = 0.007515812264 NormRD = 0.009479351144 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=83 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1268 3.1268 sum 6.2535 2 C MulP 1.8732 1.8732 sum 3.7465 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.842892725240 dUele = 0.002203931653 NormRD = 0.003093977405 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=84 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1270 3.1270 sum 6.2540 2 C MulP 1.8730 1.8730 sum 3.7460 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.843103847992 dUele = 0.000211122752 NormRD = 0.002515058954 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=85 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1291 3.1291 sum 6.2581 2 C MulP 1.8709 1.8709 sum 3.7419 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.843945889985 dUele = 0.000842041993 NormRD = 0.000163969950 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=86 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1292 3.1292 sum 6.2584 2 C MulP 1.8708 1.8708 sum 3.7416 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.843986663485 dUele = 0.000040773500 NormRD = 0.000015734396 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=87 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1292 3.1292 sum 6.2584 2 C MulP 1.8708 1.8708 sum 3.7416 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.843991606200 dUele = 0.000004942715 NormRD = 0.000000334003 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=88 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1292 3.1292 sum 6.2584 2 C MulP 1.8708 1.8708 sum 3.7416 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.843991472670 dUele = 0.000000133530 NormRD = 0.000000032786 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=89 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1292 3.1292 sum 6.2584 2 C MulP 1.8708 1.8708 sum 3.7416 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.843991474673 dUele = 0.000000002003 NormRD = 0.000000000415 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 1 orbitalOpt_iter= 6 G-SCF=90 L-SCF=14 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1292 3.1292 sum 6.2584 2 C MulP 1.8708 1.8708 sum 3.7416 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.070144854234 Uele = -4.843991474531 dUele = 0.000000000142 NormRD = 0.000000000006 Criterion = 0.000000001000 Force calculation Force calculation #1 Force calculation #2 Force calculation #3 Force calculation #4 Force calculation #5 Total Energy Force calculation #6 Force calculation #7 ******************************************************* Dipole moment (Debye) ******************************************************* Absolute D 1.13402503 Dx Dy Dz Total 1.13402503 0.00000000 0.00000000 Core 30.74052351 0.00000000 0.00000000 Electron -29.60649848 0.00000000 0.00000000 Back ground -0.00000000 0.00000000 0.00000000 ******************************************************* Total Energy (Hartree) at MD = 1 ******************************************************* Uele = -4.843991474531 Ukin = 14.063275510979 UH0 = -26.457650043134 UH1 = 0.098736840670 Una = -15.440896576666 Unl = 3.273791626418 Uxc0 = -2.674541995206 Uxc1 = -2.674541995206 Ucore = 7.937658735000 Uhub = 0.000000000000 Ucs = 0.000000000000 Uzs = 0.000000000000 Uzo = 0.000000000000 Uef = 0.000000000000 UvdW = 0.000000000000 Utot = -21.874167897146 Note: Utot = Ukin+UH0+UH1+Una+Unl+Uxc0+Uxc1+Ucore+Uhub+Ucs+Uzs+Uzo+Uef+UvdW Uele: band energy Ukin: kinetic energy UH0: electric part of screened Coulomb energy UH1: difference electron-electron Coulomb energy Una: neutral atom potential energy Unl: non-local potential energy Uxc0: exchange-correlation energy for alpha spin Uxc1: exchange-correlation energy for beta spin Ucore: core-core Coulomb energy Uhub: LDA+U energy Ucs: constraint energy for spin orientation Uzs: Zeeman term for spin magnetic moment Uzo: Zeeman term for orbital magnetic moment Uef: electric energy by electric field UvdW: semi-empirical vdW energy (see also PRB 72, 045121(2005) for the energy contributions) ******************************************************* Computational times (s) at MD = 1 ******************************************************* DFT in total = 12.89483 Set_OLP_Kin = 0.04185 Set_Nonlocal = 0.05078 Set_ProExpn_VNA = 0.13910 Set_Hamiltonian = 10.11420 Poisson = 1.35226 diagonalization = 0.02655 Mixing_DM = 0.00254 Force = 0.17070 Total_Energy = 0.21428 Set_Aden_Grid = 0.01825 Set_Orbitals_Grid = 0.09972 Set_Density_Grid = 0.59566 RestartFileDFT = 0.00068 Mulliken_Charge = 0.01186 FFT(2D)_Density = 0.00000 ******************************************************* MD or geometry opt. at MD = 1 ******************************************************* SD_scaling= 1.259817324989 |Maximum force| (Hartree/Bohr) = 0.172437767437 Criterion (Hartree/Bohr) = 0.000100000000 atom= 1, XYZ(ang) Fxyz(a.u.)= 0.1054 -0.0000 0.0000 -0.1718 0.0000 -0.0000 atom= 2, XYZ(ang) Fxyz(a.u.)= 1.4942 0.0000 -0.0000 0.1724 -0.0000 0.0000 ******************************************************* Analysis of neighbors and setting of grids ******************************************************* ******************************************************* Allocation of atoms to proccesors at MD_iter= 2 ******************************************************* proc = 0 # of atoms= 2 estimated weight= 2.00000 TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 1 0 Info. of cutoff energy and num. of grids lattice vectors (bohr) A = 17.955637770240, 0.000000000000, 0.000000000000 B = 0.000000000000, 13.851491994185, 0.000000000000 C = 0.000000000000, 0.000000000000, 13.851491994185 reciprocal lattice vectors (bohr^-1) RA = 0.349928272534, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.453610723655, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.453610723655 Required cutoff energy (Ryd) for 3D-grids = 150.0000 Used cutoff energy (Ryd) for 3D-grids = 150.0010, 150.0010, 150.0010 Num. of grids of a-, b-, and c-axes = 70, 54, 54 Cell_Volume = 3445.037441039801 (Bohr^3) GridVol = 0.016877510489 (Bohr^3) Cell vectors (bohr) of the grid cell (gtv) gtv_a = 0.256509111003, 0.000000000000, 0.000000000000 gtv_b = 0.000000000000, 0.256509111003, 0.000000000000 gtv_c = 0.000000000000, 0.000000000000, 0.256509111003 |gtv_a| = 0.256509111003 |gtv_b| = 0.256509111003 |gtv_c| = 0.256509111003 Num. of grids overlapping with atom 1 = 53500 Num. of grids overlapping with atom 2 = 53500 ******************************************************* SCF calculation at MD = 2 ******************************************************* Calculation of the overlap matrix Calculation of the nonlocal matrix Calculation of the VNA projector matrix ******************* MD= 2 SCF= 1 ******************* Found restart files Solving the eigenvalue problem... 1 O MulP 3.6525 3.6525 sum 7.3049 2 C MulP 1.3475 1.3475 sum 2.6951 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -4.856810346438 dUele = 1.000000000000 NormRD = 1.000000000000 Criterion = 0.000000001000 ******************* MD= 2 SCF= 2 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 1.2978 1.2978 sum 2.5956 2 C MulP 3.7022 3.7022 sum 7.4044 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.051260142041 Uele = -5.100921065904 dUele = 0.244110719466 NormRD = 2.202839160029 Criterion = 0.000000001000 ******************* MD= 2 SCF= 3 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 1.4363 1.4363 sum 2.8727 2 C MulP 3.5637 3.5637 sum 7.1273 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.216695890224 Uele = -4.982098064277 dUele = 0.118823001627 NormRD = 1.924740261535 Criterion = 0.000000001000 ******************* MD= 2 SCF= 4 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.3962 3.3962 sum 6.7924 2 C MulP 1.6038 1.6038 sum 3.2076 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.228412643405 Uele = -5.420741486580 dUele = 0.438643422304 NormRD = 0.435928940227 Criterion = 0.000000001000 ******************* MD= 2 SCF= 5 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0559 3.0559 sum 6.1117 2 C MulP 1.9441 1.9441 sum 3.8883 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.171838634022 dUele = 0.248902852558 NormRD = 0.398035013756 Criterion = 0.000000001000 ******************* MD= 2 SCF= 6 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.2025 3.2025 sum 6.4049 2 C MulP 1.7975 1.7975 sum 3.5951 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.285908312150 dUele = 0.114069678128 NormRD = 0.223044642309 Criterion = 0.000000001000 ******************* MD= 2 SCF= 7 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0740 3.0740 sum 6.1479 2 C MulP 1.9260 1.9260 sum 3.8521 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.223271155029 dUele = 0.062637157120 NormRD = 0.213148593337 Criterion = 0.000000001000 ******************* MD= 2 SCF= 8 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1638 3.1638 sum 6.3275 2 C MulP 1.8362 1.8362 sum 3.6725 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.299667840117 dUele = 0.076396685088 NormRD = 0.072747660233 Criterion = 0.000000001000 ******************* MD= 2 SCF= 9 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1171 3.1171 sum 6.2341 2 C MulP 1.8829 1.8829 sum 3.7659 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.295300530879 dUele = 0.004367309238 NormRD = 0.026072099143 Criterion = 0.000000001000 ******************* MD= 2 SCF=10 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1368 3.1368 sum 6.2737 2 C MulP 1.8632 1.8632 sum 3.7263 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.308054936162 dUele = 0.012754405282 NormRD = 0.000689270974 Criterion = 0.000000001000 ******************* MD= 2 SCF=11 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1372 3.1372 sum 6.2745 2 C MulP 1.8628 1.8628 sum 3.7255 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.308404336605 dUele = 0.000349400443 NormRD = 0.000036198762 Criterion = 0.000000001000 ******************* MD= 2 SCF=12 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1372 3.1372 sum 6.2745 2 C MulP 1.8628 1.8628 sum 3.7255 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.308405651832 dUele = 0.000001315227 NormRD = 0.000014163922 Criterion = 0.000000001000 ******************* MD= 2 SCF=13 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1372 3.1372 sum 6.2744 2 C MulP 1.8628 1.8628 sum 3.7256 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.308400959156 dUele = 0.000004692676 NormRD = 0.000000321010 Criterion = 0.000000001000 ******************* MD= 2 SCF=14 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1372 3.1372 sum 6.2744 2 C MulP 1.8628 1.8628 sum 3.7256 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.308401063464 dUele = 0.000000104308 NormRD = 0.000000008214 Criterion = 0.000000001000 ******************* MD= 2 SCF=15 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1372 3.1372 sum 6.2744 2 C MulP 1.8628 1.8628 sum 3.7256 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.308401059034 dUele = 0.000000004430 NormRD = 0.000000001305 Criterion = 0.000000001000 ******************* MD= 2 SCF=16 ******************* Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1372 3.1372 sum 6.2744 2 C MulP 1.8628 1.8628 sum 3.7256 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.308401059728 dUele = 0.000000000694 NormRD = 0.000000000005 Criterion = 0.000000001000 Force calculation Force calculation #1 Force calculation #2 Force calculation #3 Force calculation #4 Force calculation #5 Total Energy Force calculation #6 Force calculation #7 ******************************************************* Dipole moment (Debye) ******************************************************* Absolute D 0.67610652 Dx Dy Dz Total 0.67610652 -0.00000000 0.00000000 Core 31.74584038 -0.00000000 0.00000000 Electron -31.06973386 -0.00000000 0.00000000 Back ground -0.00000000 0.00000000 0.00000000 ******************************************************* Total Energy (Hartree) at MD = 2 ******************************************************* Uele = -5.308401059728 Ukin = 14.120132020529 UH0 = -27.476025323880 UH1 = 0.108418252514 Una = -15.676014746284 Unl = 3.249527838519 Uxc0 = -2.702747206989 Uxc1 = -2.702747206989 Ucore = 9.145268240731 Uhub = 0.000000000000 Ucs = 0.000000000000 Uzs = 0.000000000000 Uzo = 0.000000000000 Uef = 0.000000000000 UvdW = 0.000000000000 Utot = -21.934188131848 Note: Utot = Ukin+UH0+UH1+Una+Unl+Uxc0+Uxc1+Ucore+Uhub+Ucs+Uzs+Uzo+Uef+UvdW Uele: band energy Ukin: kinetic energy UH0: electric part of screened Coulomb energy UH1: difference electron-electron Coulomb energy Una: neutral atom potential energy Unl: non-local potential energy Uxc0: exchange-correlation energy for alpha spin Uxc1: exchange-correlation energy for beta spin Ucore: core-core Coulomb energy Uhub: LDA+U energy Ucs: constraint energy for spin orientation Uzs: Zeeman term for spin magnetic moment Uzo: Zeeman term for orbital magnetic moment Uef: electric energy by electric field UvdW: semi-empirical vdW energy (see also PRB 72, 045121(2005) for the energy contributions) ******************************************************* Computational times (s) at MD = 2 ******************************************************* DFT in total = 2.62591 Set_OLP_Kin = 0.03771 Set_Nonlocal = 0.05030 Set_ProExpn_VNA = 0.13008 Set_Hamiltonian = 1.60993 Poisson = 0.22697 diagonalization = 0.00467 Mixing_DM = 0.00048 Force = 0.16849 Total_Energy = 0.18488 Set_Aden_Grid = 0.01667 Set_Orbitals_Grid = 0.06821 Set_Density_Grid = 0.11123 RestartFileDFT = 0.00240 Mulliken_Charge = 0.00212 FFT(2D)_Density = 0.00000 ******************************************************* MD or geometry opt. at MD = 2 ******************************************************* SD_scaling= 1.259817324989 |Maximum force| (Hartree/Bohr) = 0.109531763437 Criterion (Hartree/Bohr) = 0.000100000000 atom= 1, XYZ(ang) Fxyz(a.u.)= 0.1779 0.0000 -0.0000 -0.1087 -0.0000 0.0000 atom= 2, XYZ(ang) Fxyz(a.u.)= 1.4211 -0.0000 0.0000 0.1095 0.0000 -0.0000 ******************************************************* Analysis of neighbors and setting of grids ******************************************************* ******************************************************* Allocation of atoms to proccesors at MD_iter= 3 ******************************************************* proc = 0 # of atoms= 2 estimated weight= 2.00000 TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 1 0 Info. of cutoff energy and num. of grids lattice vectors (bohr) A = 17.955637770240, 0.000000000000, 0.000000000000 B = 0.000000000000, 13.851491994185, 0.000000000000 C = 0.000000000000, 0.000000000000, 13.851491994185 reciprocal lattice vectors (bohr^-1) RA = 0.349928272534, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.453610723655, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.453610723655 Required cutoff energy (Ryd) for 3D-grids = 150.0000 Used cutoff energy (Ryd) for 3D-grids = 150.0010, 150.0010, 150.0010 Num. of grids of a-, b-, and c-axes = 70, 54, 54 Cell_Volume = 3445.037441039801 (Bohr^3) GridVol = 0.016877510489 (Bohr^3) Cell vectors (bohr) of the grid cell (gtv) gtv_a = 0.256509111003, 0.000000000000, 0.000000000000 gtv_b = 0.000000000000, 0.256509111003, 0.000000000000 gtv_c = 0.000000000000, 0.000000000000, 0.256509111003 |gtv_a| = 0.256509111003 |gtv_b| = 0.256509111003 |gtv_c| = 0.256509111003 Num. of grids overlapping with atom 1 = 53608 Num. of grids overlapping with atom 2 = 53632 ******************************************************* Orbital optimization SCF calculation at MD = 3 ******************************************************* Calculation of the overlap matrix Calculation of the nonlocal matrix Calculation of the VNA projector matrix ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 1 L-SCF= 1 Solving the eigenvalue problem... 1 O MulP 3.5382 3.5382 sum 7.0765 2 C MulP 1.4618 1.4618 sum 2.9235 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.091647774328 dUele = 1.000000000000 NormRD = 1.000000000000 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 2 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 1.7073 1.7073 sum 3.4146 2 C MulP 3.2927 3.2927 sum 6.5854 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.076432770574 Uele = -5.221522391324 dUele = 0.129874616996 NormRD = 1.710268398872 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 3 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 2.0746 2.0746 sum 4.1492 2 C MulP 2.9254 2.9254 sum 5.8508 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.166331596030 Uele = -5.262682394125 dUele = 0.041160002801 NormRD = 1.257343388940 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 4 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.0364 3.0364 sum 6.0728 2 C MulP 1.9636 1.9636 sum 3.9272 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.177105152346 Uele = -5.635471087775 dUele = 0.372788693649 NormRD = 0.310111482932 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 5 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1307 3.1307 sum 6.2614 2 C MulP 1.8693 1.8693 sum 3.7386 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.710196997842 dUele = 0.074725910067 NormRD = 0.203078889950 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 6 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1501 3.1501 sum 6.3002 2 C MulP 1.8499 1.8499 sum 3.6998 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.731585025742 dUele = 0.021388027900 NormRD = 0.131388771986 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 7 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1429 3.1429 sum 6.2858 2 C MulP 1.8571 1.8571 sum 3.7142 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.730014551120 dUele = 0.001570474622 NormRD = 0.092086800456 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 8 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1882 3.1882 sum 6.3764 2 C MulP 1.8118 1.8118 sum 3.6236 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.782504421893 dUele = 0.052489870772 NormRD = 0.054714891146 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF= 9 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1348 3.1348 sum 6.2697 2 C MulP 1.8652 1.8652 sum 3.7303 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.737152685047 dUele = 0.045351736846 NormRD = 0.017179940858 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF=10 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1466 3.1466 sum 6.2931 2 C MulP 1.8534 1.8534 sum 3.7069 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.747846840778 dUele = 0.010694155730 NormRD = 0.000275423345 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF=11 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1464 3.1464 sum 6.2929 2 C MulP 1.8536 1.8536 sum 3.7071 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.747843238144 dUele = 0.000003602633 NormRD = 0.000033803738 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF=12 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1464 3.1464 sum 6.2929 2 C MulP 1.8536 1.8536 sum 3.7071 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.747839309142 dUele = 0.000003929003 NormRD = 0.000010903227 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF=13 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1464 3.1464 sum 6.2928 2 C MulP 1.8536 1.8536 sum 3.7072 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.747836183503 dUele = 0.000003125639 NormRD = 0.000000217971 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF=14 L-SCF=14 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1464 3.1464 sum 6.2928 2 C MulP 1.8536 1.8536 sum 3.7072 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.747836203608 dUele = 0.000000020105 NormRD = 0.000000004790 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF=15 L-SCF=15 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1464 3.1464 sum 6.2928 2 C MulP 1.8536 1.8536 sum 3.7072 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.300000000000 Uele = -5.747836200663 dUele = 0.000000002945 NormRD = 0.000000000056 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 1 G-SCF=16 L-SCF=16 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1464 3.1464 sum 6.2928 2 C MulP 1.8536 1.8536 sum 3.7072 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.426627733651 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.747836200640 dUele = 0.000000000023 NormRD = 0.000000000001 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=17 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1445 3.1445 sum 6.2891 2 C MulP 1.8555 1.8555 sum 3.7109 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.729697811769 dUele = 0.018138388870 NormRD = 0.003296085343 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=18 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1505 3.1505 sum 6.3011 2 C MulP 1.8495 1.8495 sum 3.6989 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.732270789338 dUele = 0.002572977568 NormRD = 0.006216492361 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=19 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1505 3.1505 sum 6.3011 2 C MulP 1.8495 1.8495 sum 3.6989 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.105137343418 Uele = -5.732252303308 dUele = 0.000018486029 NormRD = 0.006186858053 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=20 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1482 3.1482 sum 6.2964 2 C MulP 1.8518 1.8518 sum 3.7036 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.140151526351 Uele = -5.730319591789 dUele = 0.001932711520 NormRD = 0.003092382695 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=21 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1466 3.1466 sum 6.2933 2 C MulP 1.8534 1.8534 sum 3.7067 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.159171310349 Uele = -5.729041133800 dUele = 0.001278457989 NormRD = 0.001068965352 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=22 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1460 3.1460 sum 6.2921 2 C MulP 1.8540 1.8540 sum 3.7079 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.159171310349 Uele = -5.728570049458 dUele = 0.000471084342 NormRD = 0.000404592333 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=23 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1459 3.1459 sum 6.2918 2 C MulP 1.8541 1.8541 sum 3.7082 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.159171310349 Uele = -5.728467563597 dUele = 0.000102485861 NormRD = 0.000285493991 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=24 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1460 3.1460 sum 6.2920 2 C MulP 1.8540 1.8540 sum 3.7080 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.159171310349 Uele = -5.728638594156 dUele = 0.000171030559 NormRD = 0.000217387945 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=25 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1458 3.1458 sum 6.2917 2 C MulP 1.8542 1.8542 sum 3.7083 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.159171310349 Uele = -5.728499959426 dUele = 0.000138634730 NormRD = 0.000000295866 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=26 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1458 3.1458 sum 6.2917 2 C MulP 1.8542 1.8542 sum 3.7083 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.159171310349 Uele = -5.728499830749 dUele = 0.000000128677 NormRD = 0.000000007369 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=27 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1458 3.1458 sum 6.2917 2 C MulP 1.8542 1.8542 sum 3.7083 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.159171310349 Uele = -5.728499825579 dUele = 0.000000005170 NormRD = 0.000000000140 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 2 G-SCF=28 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1458 3.1458 sum 6.2917 2 C MulP 1.8542 1.8542 sum 3.7083 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.379666058346 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.728499825687 dUele = 0.000000000108 NormRD = 0.000000000036 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=29 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1441 3.1441 sum 6.2882 2 C MulP 1.8559 1.8559 sum 3.7118 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.709634400515 dUele = 0.018865425172 NormRD = 0.003296564378 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=30 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1495 3.1495 sum 6.2990 2 C MulP 1.8505 1.8505 sum 3.7010 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.711414254411 dUele = 0.001779853896 NormRD = 0.005567110018 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=31 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1495 3.1495 sum 6.2990 2 C MulP 1.8505 1.8505 sum 3.7010 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.105216382791 Uele = -5.711397748027 dUele = 0.000016506384 NormRD = 0.005540591330 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=32 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1474 3.1474 sum 6.2948 2 C MulP 1.8526 1.8526 sum 3.7052 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.140370899160 Uele = -5.709670591798 dUele = 0.001727156229 NormRD = 0.002772733573 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=33 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1460 3.1460 sum 6.2920 2 C MulP 1.8540 1.8540 sum 3.7080 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.160336956426 Uele = -5.708530132653 dUele = 0.001140459145 NormRD = 0.000978447391 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=34 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1454 3.1454 sum 6.2909 2 C MulP 1.8546 1.8546 sum 3.7091 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.160336956426 Uele = -5.708111374523 dUele = 0.000418758130 NormRD = 0.000410483861 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=35 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2906 2 C MulP 1.8547 1.8547 sum 3.7094 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.160336956426 Uele = -5.708024995513 dUele = 0.000086379011 NormRD = 0.000304009264 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=36 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1455 3.1455 sum 6.2910 2 C MulP 1.8545 1.8545 sum 3.7090 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.160336956426 Uele = -5.708262492147 dUele = 0.000237496634 NormRD = 0.000305283511 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=37 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2906 2 C MulP 1.8547 1.8547 sum 3.7094 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.160336956426 Uele = -5.708068554444 dUele = 0.000193937703 NormRD = 0.000000569929 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=38 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2906 2 C MulP 1.8547 1.8547 sum 3.7094 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.160336956426 Uele = -5.708068204804 dUele = 0.000000349639 NormRD = 0.000000007317 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=39 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2906 2 C MulP 1.8547 1.8547 sum 3.7094 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.160336956426 Uele = -5.708068208819 dUele = 0.000000004015 NormRD = 0.000000000565 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 3 G-SCF=40 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2906 2 C MulP 1.8547 1.8547 sum 3.7094 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.333812737220 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.708068209196 dUele = 0.000000000377 NormRD = 0.000000000012 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=41 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1437 3.1437 sum 6.2875 2 C MulP 1.8563 1.8563 sum 3.7125 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.688391470575 dUele = 0.019676738621 NormRD = 0.003298349328 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=42 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1483 3.1483 sum 6.2966 2 C MulP 1.8517 1.8517 sum 3.7034 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.689160380928 dUele = 0.000768910354 NormRD = 0.004711838673 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=43 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1483 3.1483 sum 6.2966 2 C MulP 1.8517 1.8517 sum 3.7034 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.105500024400 Uele = -5.689146481356 dUele = 0.000013899573 NormRD = 0.004689454520 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=44 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1465 3.1465 sum 6.2930 2 C MulP 1.8535 1.8535 sum 3.7070 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.140983962642 Uele = -5.687688038133 dUele = 0.001458443222 NormRD = 0.002352628637 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=45 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2906 2 C MulP 1.8547 1.8547 sum 3.7094 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.162994731731 Uele = -5.686728834953 dUele = 0.000959203180 NormRD = 0.000864538233 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=46 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1449 3.1449 sum 6.2897 2 C MulP 1.8551 1.8551 sum 3.7103 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.162994731731 Uele = -5.686379158593 dUele = 0.000349676360 NormRD = 0.000419280407 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=47 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1448 3.1448 sum 6.2895 2 C MulP 1.8552 1.8552 sum 3.7105 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.162994731731 Uele = -5.686315064406 dUele = 0.000064094187 NormRD = 0.000324498009 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=48 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1451 3.1451 sum 6.2901 2 C MulP 1.8549 1.8549 sum 3.7099 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.162994731731 Uele = -5.686654097125 dUele = 0.000339032719 NormRD = 0.000445891608 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=49 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1447 3.1447 sum 6.2895 2 C MulP 1.8553 1.8553 sum 3.7105 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.162994731731 Uele = -5.686372786480 dUele = 0.000281310644 NormRD = 0.000000953733 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=50 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1447 3.1447 sum 6.2895 2 C MulP 1.8553 1.8553 sum 3.7105 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.162994731731 Uele = -5.686372159947 dUele = 0.000000626533 NormRD = 0.000000033281 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=51 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1447 3.1447 sum 6.2895 2 C MulP 1.8553 1.8553 sum 3.7105 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.162994731731 Uele = -5.686372180984 dUele = 0.000000021037 NormRD = 0.000000000234 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 4 G-SCF=52 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1447 3.1447 sum 6.2895 2 C MulP 1.8553 1.8553 sum 3.7105 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.289250081805 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.686372181098 dUele = 0.000000000114 NormRD = 0.000000000003 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=53 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1435 3.1435 sum 6.2869 2 C MulP 1.8565 1.8565 sum 3.7131 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.665789856006 dUele = 0.020582325092 NormRD = 0.003310436803 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=54 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1469 3.1469 sum 6.2939 2 C MulP 1.8531 1.8531 sum 3.7061 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.665245025604 dUele = 0.000544830402 NormRD = 0.003571305266 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=55 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1469 3.1469 sum 6.2938 2 C MulP 1.8531 1.8531 sum 3.7062 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.106616827235 Uele = -5.665234617109 dUele = 0.000010408496 NormRD = 0.003554517490 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=56 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1456 3.1456 sum 6.2911 2 C MulP 1.8544 1.8544 sum 3.7089 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.143133859069 Uele = -5.664130795752 dUele = 0.001103821356 NormRD = 0.001795383379 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=57 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1446 3.1446 sum 6.2893 2 C MulP 1.8554 1.8554 sum 3.7107 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663413552971 dUele = 0.000717242782 NormRD = 0.000727165280 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=58 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1443 3.1443 sum 6.2886 2 C MulP 1.8557 1.8557 sum 3.7114 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663157647848 dUele = 0.000255905123 NormRD = 0.000431780480 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=59 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1442 3.1442 sum 6.2885 2 C MulP 1.8558 1.8558 sum 3.7115 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663127369532 dUele = 0.000030278316 NormRD = 0.000343005483 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=60 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1447 3.1447 sum 6.2894 2 C MulP 1.8553 1.8553 sum 3.7106 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663590996945 dUele = 0.000463627413 NormRD = 0.000621534197 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=61 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1442 3.1442 sum 6.2884 2 C MulP 1.8558 1.8558 sum 3.7116 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663202798463 dUele = 0.000388198482 NormRD = 0.000001375760 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=62 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1442 3.1442 sum 6.2884 2 C MulP 1.8558 1.8558 sum 3.7116 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663201874258 dUele = 0.000000924205 NormRD = 0.000000062765 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=63 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1442 3.1442 sum 6.2884 2 C MulP 1.8558 1.8558 sum 3.7116 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663201913170 dUele = 0.000000038912 NormRD = 0.000000001898 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=64 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1442 3.1442 sum 6.2884 2 C MulP 1.8558 1.8558 sum 3.7116 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.171221105527 Uele = -5.663201914300 dUele = 0.000000001129 NormRD = 0.000000000003 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 5 G-SCF=65 L-SCF=13 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1442 3.1442 sum 6.2884 2 C MulP 1.8558 1.8558 sum 3.7116 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Norm of derivatives = 0.246211675795 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.663201914298 dUele = 0.000000000001 NormRD = 0.000000000000 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=66 L-SCF= 1 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1433 3.1433 sum 6.2866 2 C MulP 1.8567 1.8567 sum 3.7134 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001000000000 Uele = -5.641614119019 dUele = 0.021587795279 NormRD = 0.003354960099 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=67 L-SCF= 2 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2905 2 C MulP 1.8547 1.8547 sum 3.7095 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.001599040933 Uele = -5.639321181796 dUele = 0.002292937223 NormRD = 0.002053457971 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=68 L-SCF= 3 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1453 3.1453 sum 6.2905 2 C MulP 1.8547 1.8547 sum 3.7095 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.114899454949 Uele = -5.639312178663 dUele = 0.000009003134 NormRD = 0.002039119053 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=69 L-SCF= 4 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1444 3.1444 sum 6.2889 2 C MulP 1.8556 1.8556 sum 3.7111 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.158203938366 Uele = -5.638670534659 dUele = 0.000641644004 NormRD = 0.001066842647 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=70 L-SCF= 5 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1439 3.1439 sum 6.2879 2 C MulP 1.8561 1.8561 sum 3.7121 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638286648426 dUele = 0.000383886233 NormRD = 0.000588606667 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=71 L-SCF= 6 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1438 3.1438 sum 6.2875 2 C MulP 1.8562 1.8562 sum 3.7125 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638177990156 dUele = 0.000108658271 NormRD = 0.000422217153 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=72 L-SCF= 7 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1438 3.1438 sum 6.2875 2 C MulP 1.8562 1.8562 sum 3.7125 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638218744607 dUele = 0.000040754451 NormRD = 0.000305982351 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=73 L-SCF= 8 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1436 3.1436 sum 6.2872 2 C MulP 1.8564 1.8564 sum 3.7128 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638172469655 dUele = 0.000046274952 NormRD = 0.000199843643 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=74 L-SCF= 9 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1438 3.1438 sum 6.2875 2 C MulP 1.8562 1.8562 sum 3.7125 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638297244661 dUele = 0.000124775006 NormRD = 0.000002795777 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=75 L-SCF=10 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1438 3.1438 sum 6.2875 2 C MulP 1.8562 1.8562 sum 3.7125 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638295435146 dUele = 0.000001809515 NormRD = 0.000000035346 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=76 L-SCF=11 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1438 3.1438 sum 6.2875 2 C MulP 1.8562 1.8562 sum 3.7125 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638295457798 dUele = 0.000000022652 NormRD = 0.000000000876 Criterion = 0.000000001000 ***************** Orbital optimization ************** MD= 3 orbitalOpt_iter= 6 G-SCF=77 L-SCF=12 Poisson's equation using FFT... Hamiltonian matrix for VNA+dVH+Vxc... Solving the eigenvalue problem... 1 O MulP 3.1438 3.1438 sum 6.2875 2 C MulP 1.8562 1.8562 sum 3.7125 Sum of MulP: up = 5.00000 down = 5.00000 total= 10.00000 ideal(neutral)= 10.00000 Total Spin Moment (muB) = 0.000000000000 Mixing_weight= 0.227436357729 Uele = -5.638295458316 dUele = 0.000000000519 NormRD = 0.000000000004 Criterion = 0.000000001000 Force calculation Force calculation #1 Force calculation #2 Force calculation #3 Force calculation #4 Force calculation #5 Total Energy Force calculation #6 Force calculation #7 ******************************************************* Dipole moment (Debye) ******************************************************* Absolute D 0.35410783 Dx Dy Dz Total 0.35410783 0.00000000 -0.00000000 Core 32.43205046 0.00000000 -0.00000000 Electron -32.07794263 -0.00000000 0.00000000 Back ground -0.00000000 0.00000000 0.00000000 ******************************************************* Total Energy (Hartree) at MD = 3 ******************************************************* Uele = -5.638295458316 Ukin = 14.346850552717 UH0 = -28.290711366742 UH1 = 0.109180652485 Una = -16.057280549792 Unl = 3.209219921413 Uxc0 = -2.743262361555 Uxc1 = -2.743262361555 Ucore = 10.215684462448 Uhub = 0.000000000000 Ucs = 0.000000000000 Uzs = 0.000000000000 Uzo = 0.000000000000 Uef = 0.000000000000 UvdW = 0.000000000000 Utot = -21.953581050580 Note: Utot = Ukin+UH0+UH1+Una+Unl+Uxc0+Uxc1+Ucore+Uhub+Ucs+Uzs+Uzo+Uef+UvdW Uele: band energy Ukin: kinetic energy UH0: electric part of screened Coulomb energy UH1: difference electron-electron Coulomb energy Una: neutral atom potential energy Unl: non-local potential energy Uxc0: exchange-correlation energy for alpha spin Uxc1: exchange-correlation energy for beta spin Ucore: core-core Coulomb energy Uhub: LDA+U energy Ucs: constraint energy for spin orientation Uzs: Zeeman term for spin magnetic moment Uzo: Zeeman term for orbital magnetic moment Uef: electric energy by electric field UvdW: semi-empirical vdW energy (see also PRB 72, 045121(2005) for the energy contributions) ******************************************************* Computational times (s) at MD = 3 ******************************************************* DFT in total = 10.85400 Set_OLP_Kin = 0.03665 Set_Nonlocal = 0.05018 Set_ProExpn_VNA = 0.12700 Set_Hamiltonian = 8.37866 Poisson = 1.17566 diagonalization = 0.02327 Mixing_DM = 0.00166 Force = 0.16061 Total_Energy = 0.18274 Set_Aden_Grid = 0.01656 Set_Orbitals_Grid = 0.09766 Set_Density_Grid = 0.54239 RestartFileDFT = 0.00085 Mulliken_Charge = 0.01024 FFT(2D)_Density = 0.00000 ******************************************************* MD or geometry opt. at MD = 3 ******************************************************* SD_scaling= 1.259817324989 |Maximum force| (Hartree/Bohr) = 0.026365123007 Criterion (Hartree/Bohr) = 0.000100000000 atom= 1, XYZ(ang) Fxyz(a.u.)= 0.1779 0.0000 -0.0000 0.0249 0.0000 -0.0000 atom= 2, XYZ(ang) Fxyz(a.u.)= 1.4211 -0.0000 0.0000 -0.0264 -0.0000 0.0000 outputting data on grids to files... *********************************************************** *********************************************************** Computational Time (second) *********************************************************** *********************************************************** Min_ID Min_Time Max_ID Max_Time Total Computational Time = 0 33.540 0 33.540 readfile = 0 6.453 0 6.453 truncation = 0 0.000 0 0.000 MD_pac = 0 0.001 0 0.001 OutData = 0 0.436 0 0.436 DFT = 0 26.375 0 26.375 *** In DFT *** Set_OLP_Kin = 0 0.116 0 0.116 Set_Nonlocal = 0 0.151 0 0.151 Set_ProExpn_VNA = 0 0.396 0 0.396 Set_Hamiltonian = 0 20.103 0 20.103 Poisson = 0 2.755 0 2.755 Diagonalization = 0 0.054 0 0.054 Mixing_DM = 0 0.005 0 0.005 Force = 0 0.500 0 0.500 Total_Energy = 0 0.582 0 0.582 Set_Aden_Grid = 0 0.051 0 0.051 Set_Orbitals_Grid = 0 0.266 0 0.266 Set_Density_Grid = 0 1.249 0 1.249 RestartFileDFT = 0 0.004 0 0.004 Mulliken_Charge = 0 0.024 0 0.024 FFT(2D)_Density = 0 0.000 0 0.000 Others = 0 0.118 0 0.118 The calculation was normally finished. ******************************************************* ******************************************************* Welcome to OpenMX Ver. 3.8.5 Copyright (C), 2002-2009, T.Ozaki OpenMX comes with ABSOLUTELY NO WARRANTY. This is free software, and you are welcome to redistribute it under the constitution of the GNU-GPL. ******************************************************* ******************************************************* ******************************************************* read the input file and initializing ******************************************************* automatically determied UnitCell(Ang.) from atomic positions and Rc of PAOs (margin= 10.00%) 11.513520 0.000000 0.000000 0.000000 9.313520 0.000000 0.000000 0.000000 9.313520 widened unit cell to fit energy cutoff (Ang.) A = 11.895558 0.000000 0.000000 (96) B = 0.000000 9.912965 0.000000 (80) C = 0.000000 0.000000 9.912965 (80) Your input file was normally read. The system includes 1 species and 2 atoms. ******************************************************* PAO and VPS ******************************************************* PAOs of species Cr were normally found. VPSs of species Cr were normally found. Cr_CA13.vps is j-dependent. ******************************************************* Fourier transform of PAO and projectors of VNL ******************************************************* Fourier transform of pseudo atomic orbitals Fourier transform of non-local projectors Fourier transform of VNA separable projectors Fourier transform of VNA potentials Fourier transform of product of PAOs ******************************************************* Allocation of atoms to proccesors at MD_iter= 1 ******************************************************* proc = 0 # of atoms= 2 estimated weight= 2.00000 ******************************************************* Analysis of neighbors and setting of grids ******************************************************* TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 1 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 1 ct_AN= 2 FNAN SNAN 1 0 TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 1 0 TFNAN= 2 Average FNAN= 1.00000 TSNAN= 0 Average SNAN= 0.00000 CpyCell= 2 ct_AN= 1 FNAN SNAN 1 0 CpyCell= 2 ct_AN= 2 FNAN SNAN 1 0 The system is molecule. lattice vectors (bohr) A = 22.479344696793, 0.000000000000, 0.000000000000 B = 0.000000000000, 18.732787247327, 0.000000000000 C = 0.000000000000, 0.000000000000, 18.732787247327 reciprocal lattice vectors (bohr^-1) RA = 0.279509273599, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.335411128319, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.335411128319 Grid_Origin -9.232866439522 -9.249313703368 -9.249313703368 Cell_Volume = 7888.391352601706 (Bohr^3) GridVol = 0.012839178634 (Bohr^3) Grid_Origin -9.232866439522 -9.249313703368 -9.249313703368 Cell_Volume = 7888.391352601706 (Bohr^3) GridVol = 0.012839178634 (Bohr^3) Info. of cutoff energy and num. of grids lattice vectors (bohr) A = 22.479344696793, 0.000000000000, 0.000000000000 B = 0.000000000000, 18.732787247327, 0.000000000000 C = 0.000000000000, 0.000000000000, 18.732787247327 reciprocal lattice vectors (bohr^-1) RA = 0.279509273599, 0.000000000000, 0.000000000000 RB = 0.000000000000, 0.335411128319, 0.000000000000 RC = 0.000000000000, 0.000000000000, 0.335411128319 Required cutoff energy (Ryd) for 3D-grids = 180.0000 Used cutoff energy (Ryd) for 3D-grids = 180.0010, 180.0010, 180.0010 Num. of grids of a-, b-, and c-axes = 96, 80, 80 Grid_Origin -9.232866439522 -9.249313703368 -9.249313703368 Cell_Volume = 7888.391352601706 (Bohr^3) GridVol = 0.012839178634 (Bohr^3) Cell vectors (bohr) of the grid cell (gtv) gtv_a = 0.234159840592, 0.000000000000, 0.000000000000 gtv_b = 0.000000000000, 0.234159840592, 0.000000000000 gtv_c = 0.000000000000, 0.000000000000, 0.234159840592 |gtv_a| = 0.234159840592 |gtv_b| = 0.234159840592 |gtv_c| = 0.234159840592 Num. of grids overlapping with atom 1 = 167056 Num. of grids overlapping with atom 2 = 167056 ******************************************************* SCF calculation at MD = 1 ******************************************************* Calculation of the overlap matrix Calculation of the nonlocal matrix Calculation of the VNA projector matrix ******************* MD= 1 SCF= 1 ******************* Solving the eigenvalue problem... Assertion failed in file src/mpid/ch3/src/ch3u_buffer.c at line 77: FALSE memcpy argument memory ranges overlap, dst_=0x1004a86c620 src_=0x1004a86c620 len_=160 internal ABORT - process 0 1 input_example/Benzene.dat Elapsed time(s)= 16.38 diff Utot= 0.000000000000 diff Force= 0.000000000000 2 input_example/C60.dat Elapsed time(s)= 170.39 diff Utot= 0.000000000002 diff Force= 0.000000000003 3 input_example/CO.dat Elapsed time(s)= 33.54 diff Utot= 0.000000000000 diff Force= 0.000000000012 ~/build/BUILD/openmx3.8 BUILDSTDERR: real 3m46.073s BUILDSTDERR: user 0m0.031s BUILDSTDERR: sys 0m0.084s + '[' -r runtest.result ']' + cat runtest.result + popd + module unload mpi/mpich-ppc64le BUILDSTDERR: ++ /usr/share/lmod/lmod/libexec/lmod bash unload mpi/mpich-ppc64le + eval unset '__LMOD_REF_COUNT_LD_LIBRARY_PATH;' unset 'LD_LIBRARY_PATH;' unset '__LMOD_REF_COUNT_LOADEDMODULES;' unset 'LOADEDMODULES;' '__LMOD_REF_COUNT_MANPATH=/usr/share/lmod/lmod/share/man:1;' export '__LMOD_REF_COUNT_MANPATH;' 'MANPATH=/usr/share/lmod/lmod/share/man;' export 'MANPATH;' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core;' export 'MODULEPATH;' unset 'MPI_BIN;' unset 'MPI_COMPILER;' unset 'MPI_FORTRAN_MOD_DIR;' unset 'MPI_HOME;' unset 'MPI_INCLUDE;' unset 'MPI_LIB;' unset 'MPI_MAN;' unset 'MPI_PYTHON2_SITEARCH;' unset 'MPI_PYTHON3_SITEARCH;' unset 'MPI_PYTHON_SITEARCH;' unset 'MPI_SUFFIX;' unset 'MPI_SYSCONFIG;' '__LMOD_REF_COUNT_PATH=/builddir/.local/bin:1\;/builddir/bin:1\;/usr/bin:1\;/bin:1\;/usr/sbin:1\;/sbin:1\;/usr/local/sbin:1;' export '__LMOD_REF_COUNT_PATH;' 'PATH=/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin;' export 'PATH;' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/pkgconfig:1\;/usr/share/pkgconfig:1;' export '__LMOD_REF_COUNT_PKG_CONFIG_PATH;' 'PKG_CONFIG_PATH=:/usr/lib64/pkgconfig:/usr/share/pkgconfig;' export 'PKG_CONFIG_PATH;' unset '__LMOD_REF_COUNT__LMFILES_;' unset '_LMFILES_;' '_ModuleTable001_=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;' export '_ModuleTable001_;' '_ModuleTable002_=cmUvbG1vZC9sbW9kL21vZHVsZWZpbGVzL0NvcmUiLH0=;' export '_ModuleTable002_;' '_ModuleTable_Sz_=2;' export '_ModuleTable_Sz_;' BUILDSTDERR: ++ unset __LMOD_REF_COUNT_LD_LIBRARY_PATH BUILDSTDERR: ++ unset LD_LIBRARY_PATH BUILDSTDERR: ++ unset __LMOD_REF_COUNT_LOADEDMODULES BUILDSTDERR: ++ unset LOADEDMODULES BUILDSTDERR: ++ __LMOD_REF_COUNT_MANPATH=/usr/share/lmod/lmod/share/man:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT_MANPATH BUILDSTDERR: ++ MANPATH=/usr/share/lmod/lmod/share/man BUILDSTDERR: ++ export MANPATH BUILDSTDERR: ++ MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core BUILDSTDERR: ++ export MODULEPATH BUILDSTDERR: ++ unset MPI_BIN BUILDSTDERR: ++ unset MPI_COMPILER BUILDSTDERR: ++ unset MPI_FORTRAN_MOD_DIR BUILDSTDERR: ++ unset MPI_HOME BUILDSTDERR: ++ unset MPI_INCLUDE BUILDSTDERR: ++ unset MPI_LIB BUILDSTDERR: ++ unset MPI_MAN BUILDSTDERR: ++ unset MPI_PYTHON2_SITEARCH BUILDSTDERR: ++ unset MPI_PYTHON3_SITEARCH BUILDSTDERR: ++ unset MPI_PYTHON_SITEARCH BUILDSTDERR: ++ unset MPI_SUFFIX BUILDSTDERR: ++ unset MPI_SYSCONFIG BUILDSTDERR: ++ __LMOD_REF_COUNT_PATH='/builddir/.local/bin:1;/builddir/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PATH BUILDSTDERR: ++ PATH=/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin BUILDSTDERR: ++ export PATH BUILDSTDERR: ++ __LMOD_REF_COUNT_PKG_CONFIG_PATH='/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PKG_CONFIG_PATH BUILDSTDERR: ++ PKG_CONFIG_PATH=:/usr/lib64/pkgconfig:/usr/share/pkgconfig BUILDSTDERR: ++ export PKG_CONFIG_PATH BUILDSTDERR: ++ unset __LMOD_REF_COUNT__LMFILES_ BUILDSTDERR: ++ unset _LMFILES_ BUILDSTDERR: ++ _ModuleTable001_=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 BUILDSTDERR: ++ export _ModuleTable001_ BUILDSTDERR: ++ _ModuleTable002_=cmUvbG1vZC9sbW9kL21vZHVsZWZpbGVzL0NvcmUiLH0= BUILDSTDERR: ++ export _ModuleTable002_ BUILDSTDERR: ++ _ModuleTable_Sz_=2 BUILDSTDERR: ++ export _ModuleTable_Sz_ BUILDSTDERR: ++ : -s sh + eval + for mpi in mpich openmpi + module load mpi/openmpi-ppc64le BUILDSTDERR: ++ /usr/share/lmod/lmod/libexec/lmod bash load mpi/openmpi-ppc64le + eval '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/openmpi/lib:1;' export '__LMOD_REF_COUNT_LD_LIBRARY_PATH;' 'LD_LIBRARY_PATH=/usr/lib64/openmpi/lib;' export 'LD_LIBRARY_PATH;' '__LMOD_REF_COUNT_LOADEDMODULES=mpi/openmpi-ppc64le:1;' export '__LMOD_REF_COUNT_LOADEDMODULES;' 'LOADEDMODULES=mpi/openmpi-ppc64le;' export 'LOADEDMODULES;' '__LMOD_REF_COUNT_MANPATH=/usr/share/man/openmpi-ppc64le:1\;/usr/share/lmod/lmod/share/man:1;' export '__LMOD_REF_COUNT_MANPATH;' 'MANPATH=/usr/share/man/openmpi-ppc64le:/usr/share/lmod/lmod/share/man;' export 'MANPATH;' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core;' export 'MODULEPATH;' 'MPI_BIN=/usr/lib64/openmpi/bin;' export 'MPI_BIN;' 'MPI_COMPILER=openmpi-ppc64le;' export 'MPI_COMPILER;' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/openmpi;' export 'MPI_FORTRAN_MOD_DIR;' 'MPI_HOME=/usr/lib64/openmpi;' export 'MPI_HOME;' 'MPI_INCLUDE=/usr/include/openmpi-ppc64le;' export 'MPI_INCLUDE;' 'MPI_LIB=/usr/lib64/openmpi/lib;' export 'MPI_LIB;' 'MPI_MAN=/usr/share/man/openmpi-ppc64le;' export 'MPI_MAN;' 'MPI_PYTHON2_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi;' export 'MPI_PYTHON2_SITEARCH;' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.7/site-packages/openmpi;' export 'MPI_PYTHON3_SITEARCH;' 'MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi;' export 'MPI_PYTHON_SITEARCH;' 'MPI_SUFFIX=_openmpi;' export 'MPI_SUFFIX;' 'MPI_SYSCONFIG=/etc/openmpi-ppc64le;' export 'MPI_SYSCONFIG;' '__LMOD_REF_COUNT_PATH=/usr/lib64/openmpi/bin:1\;/builddir/.local/bin:1\;/builddir/bin:1\;/usr/bin:1\;/bin:1\;/usr/sbin:1\;/sbin:1\;/usr/local/sbin:1;' export '__LMOD_REF_COUNT_PATH;' 'PATH=/usr/lib64/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin;' export 'PATH;' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/openmpi/lib/pkgconfig:1\;/usr/lib64/pkgconfig:1\;/usr/share/pkgconfig:1;' export '__LMOD_REF_COUNT_PKG_CONFIG_PATH;' 'PKG_CONFIG_PATH=/usr/lib64/openmpi/lib/pkgconfig::/usr/lib64/pkgconfig:/usr/share/pkgconfig;' export 'PKG_CONFIG_PATH;' '__LMOD_REF_COUNT__LMFILES_=/usr/share/modulefiles/mpi/openmpi-ppc64le:1;' export '__LMOD_REF_COUNT__LMFILES_;' '_LMFILES_=/usr/share/modulefiles/mpi/openmpi-ppc64le;' export '_LMFILES_;' '_ModuleTable001_=X01vZHVsZVRhYmxlXz17WyJNVHZlcnNpb24iXT0zLFsiY19yZWJ1aWxkVGltZSJdPWZhbHNlLFsiY19zaG9ydFRpbWUiXT1mYWxzZSxkZXB0aFQ9e30sZmFtaWx5PXt9LG1UPXttcGk9e1siZm4iXT0iL3Vzci9zaGFyZS9tb2R1bGVmaWxlcy9tcGkvb3Blbm1waS1wcGM2NGxlIixbImZ1bGxOYW1lIl09Im1waS9vcGVubXBpLXBwYzY0bGUiLFsibG9hZE9yZGVyIl09MSxwcm9wVD17fSxbInN0YWNrRGVwdGgiXT0wLFsic3RhdHVzIl09ImFjdGl2ZSIsWyJ1c2VyTmFtZSJdPSJtcGkvb3Blbm1waS1wcGM2NGxlIix9LH0sbXBhdGhBPXsiL2V0Yy9tb2R1bGVmaWxlcyIsIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMiLCIvdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4IiwiL3Vzci9z;' export '_ModuleTable001_;' '_ModuleTable002_=aGFyZS9tb2R1bGVmaWxlcy9Db3JlIiwiL3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfSxbInN5c3RlbUJhc2VNUEFUSCJdPSIvZXRjL21vZHVsZWZpbGVzOi91c3Ivc2hhcmUvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlcy9MaW51eDovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0NvcmU6L3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfQ==;' export '_ModuleTable002_;' '_ModuleTable_Sz_=2;' export '_ModuleTable_Sz_;' BUILDSTDERR: ++ __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/openmpi/lib:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT_LD_LIBRARY_PATH BUILDSTDERR: ++ LD_LIBRARY_PATH=/usr/lib64/openmpi/lib BUILDSTDERR: ++ export LD_LIBRARY_PATH BUILDSTDERR: ++ __LMOD_REF_COUNT_LOADEDMODULES=mpi/openmpi-ppc64le:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT_LOADEDMODULES BUILDSTDERR: ++ LOADEDMODULES=mpi/openmpi-ppc64le BUILDSTDERR: ++ export LOADEDMODULES BUILDSTDERR: ++ __LMOD_REF_COUNT_MANPATH='/usr/share/man/openmpi-ppc64le:1;/usr/share/lmod/lmod/share/man:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_MANPATH BUILDSTDERR: ++ MANPATH=/usr/share/man/openmpi-ppc64le:/usr/share/lmod/lmod/share/man BUILDSTDERR: ++ export MANPATH BUILDSTDERR: ++ MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core BUILDSTDERR: ++ export MODULEPATH BUILDSTDERR: ++ MPI_BIN=/usr/lib64/openmpi/bin BUILDSTDERR: ++ export MPI_BIN BUILDSTDERR: ++ MPI_COMPILER=openmpi-ppc64le BUILDSTDERR: ++ export MPI_COMPILER BUILDSTDERR: ++ MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/openmpi BUILDSTDERR: ++ export MPI_FORTRAN_MOD_DIR BUILDSTDERR: ++ MPI_HOME=/usr/lib64/openmpi BUILDSTDERR: ++ export MPI_HOME BUILDSTDERR: ++ MPI_INCLUDE=/usr/include/openmpi-ppc64le BUILDSTDERR: ++ export MPI_INCLUDE BUILDSTDERR: ++ MPI_LIB=/usr/lib64/openmpi/lib BUILDSTDERR: ++ export MPI_LIB BUILDSTDERR: ++ MPI_MAN=/usr/share/man/openmpi-ppc64le BUILDSTDERR: ++ export MPI_MAN BUILDSTDERR: ++ MPI_PYTHON2_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi BUILDSTDERR: ++ export MPI_PYTHON2_SITEARCH BUILDSTDERR: ++ MPI_PYTHON3_SITEARCH=/usr/lib64/python3.7/site-packages/openmpi BUILDSTDERR: ++ export MPI_PYTHON3_SITEARCH BUILDSTDERR: ++ MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi BUILDSTDERR: ++ export MPI_PYTHON_SITEARCH BUILDSTDERR: ++ MPI_SUFFIX=_openmpi BUILDSTDERR: ++ export MPI_SUFFIX BUILDSTDERR: ++ MPI_SYSCONFIG=/etc/openmpi-ppc64le BUILDSTDERR: ++ export MPI_SYSCONFIG BUILDSTDERR: ++ __LMOD_REF_COUNT_PATH='/usr/lib64/openmpi/bin:1;/builddir/.local/bin:1;/builddir/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PATH BUILDSTDERR: ++ PATH=/usr/lib64/openmpi/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin BUILDSTDERR: ++ export PATH BUILDSTDERR: ++ __LMOD_REF_COUNT_PKG_CONFIG_PATH='/usr/lib64/openmpi/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PKG_CONFIG_PATH BUILDSTDERR: ++ PKG_CONFIG_PATH=/usr/lib64/openmpi/lib/pkgconfig::/usr/lib64/pkgconfig:/usr/share/pkgconfig BUILDSTDERR: ++ export PKG_CONFIG_PATH BUILDSTDERR: ++ __LMOD_REF_COUNT__LMFILES_=/usr/share/modulefiles/mpi/openmpi-ppc64le:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT__LMFILES_ BUILDSTDERR: ++ _LMFILES_=/usr/share/modulefiles/mpi/openmpi-ppc64le BUILDSTDERR: ++ export _LMFILES_ BUILDSTDERR: ++ _ModuleTable001_=X01vZHVsZVRhYmxlXz17WyJNVHZlcnNpb24iXT0zLFsiY19yZWJ1aWxkVGltZSJdPWZhbHNlLFsiY19zaG9ydFRpbWUiXT1mYWxzZSxkZXB0aFQ9e30sZmFtaWx5PXt9LG1UPXttcGk9e1siZm4iXT0iL3Vzci9zaGFyZS9tb2R1bGVmaWxlcy9tcGkvb3Blbm1waS1wcGM2NGxlIixbImZ1bGxOYW1lIl09Im1waS9vcGVubXBpLXBwYzY0bGUiLFsibG9hZE9yZGVyIl09MSxwcm9wVD17fSxbInN0YWNrRGVwdGgiXT0wLFsic3RhdHVzIl09ImFjdGl2ZSIsWyJ1c2VyTmFtZSJdPSJtcGkvb3Blbm1waS1wcGM2NGxlIix9LH0sbXBhdGhBPXsiL2V0Yy9tb2R1bGVmaWxlcyIsIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMiLCIvdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4IiwiL3Vzci9z BUILDSTDERR: ++ export _ModuleTable001_ BUILDSTDERR: ++ _ModuleTable002_=aGFyZS9tb2R1bGVmaWxlcy9Db3JlIiwiL3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfSxbInN5c3RlbUJhc2VNUEFUSCJdPSIvZXRjL21vZHVsZWZpbGVzOi91c3Ivc2hhcmUvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlcy9MaW51eDovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0NvcmU6L3Vzci9zaGFyZS9sbW9kL2xtb2QvbW9kdWxlZmlsZXMvQ29yZSIsfQ== BUILDSTDERR: ++ export _ModuleTable002_ BUILDSTDERR: ++ _ModuleTable_Sz_=2 BUILDSTDERR: ++ export _ModuleTable_Sz_ BUILDSTDERR: ++ : -s sh ~/build/BUILD/openmx3.8/openmpi ~/build/BUILD/openmx3.8 + eval + pushd openmpi + cp -pr ../work/Al-Si111_ESM.dat ../work/C2H4_NEB.dat ../work/C60.dat ../work/C60_DC.dat ../work/C60_LO.dat ../work/CG15c_DC.dat ../work/Cafcc_FS.dat ../work/Cdia.dat ../work/CoO_NC.dat ../work/Cr2_CNC.dat ../work/Crys-NiO.dat ../work/DFT-D3 ../work/DIA216_DC.dat ../work/DIA512-1.dat ../work/DIA512_DC.dat ../work/DIA64_Band.dat ../work/DIA64_DC.dat ../work/DIA8-VA.dat ../work/DIA8.dat ../work/DIA8_DC.dat ../work/Doped_NT.dat ../work/DosMain ../work/Fe2.dat ../work/FeO+U.dat ../work/FeO_NC.dat ../work/Febcc2.dat ../work/GaAs.dat ../work/Gly_NH.dat ../work/Gly_VS.dat ../work/Graphite_STM.dat ../work/H2-075.dat ../work/H2O.dat ../work/MCCN.dat ../work/Methane.dat ../work/Methane2.dat ../work/Methane_OO.dat ../work/Mn12.dat ../work/MnO_NC.dat ../work/Mnfcc-EvsLC.dat ../work/Mol_MnO_NC.dat ../work/NaCl.dat ../work/NaCl_FC.dat ../work/NdCo5_4f+U.dat ../work/NdCo5_4f.dat ../work/NdCo5_OC.dat ../work/NiO_NC.dat ../work/Nitro_Benzene.dat ../work/OpticalConductivityMain ../work/Pt13.dat ../work/Pt63.dat ../work/Si-Wannier90.dat ../work/Si8.dat ../work/Si8_NEB.dat ../work/SialicAcid.dat ../work/SrVO3-Wannier90.dat ../work/Valorphin_DC.dat ../work/analysis_example ../work/cellopt_example ../work/esp ../work/force_example ../work/geoopt_example ../work/input_example ../work/jx ../work/large2_example ../work/large_example ../work/ml_example ../work/nbo_example ../work/negf_example ../work/polB ../work/stress_example ../work/test_mpi ../work/unfolding_example ../work/wf_example ./ + mpiexec -np 1 ./openmx -runtest -nt 1 + tee work.1.log [d9cfad8f66ec4233bf38b7b139001bee:10301:0:10301] Caught signal 11 (Segmentation fault: invalid permissions for mapped object at address 0x7fff7df01350) ==== backtrace ==== 0 /lib64/libucs.so.0(+0x200b8) [0x7fff7ddb00b8] 1 /lib64/libucs.so.0(+0x203f0) [0x7fff7ddb03f0] 2 linux-vdso64.so.1(__kernel_sigtramp_rt64+0) [0x7fff823304d8] 3 /lib64/libuct.so.0(+0x16bcc) [0x7fff7e006bcc] 4 /lib64/ld64.so.2(+0x14fdc) [0x7fff82364fdc] 5 /lib64/ld64.so.2(+0x1a99c) [0x7fff8236a99c] 6 /lib64/libc.so.6(_dl_catch_exception+0x88) [0x7fff80e3cdf8] 7 /lib64/ld64.so.2(+0x19d04) [0x7fff82369d04] 8 /lib64/libdl.so.2(+0x1338) [0x7fff809a1338] 9 /lib64/libc.so.6(_dl_catch_exception+0x88) [0x7fff80e3cdf8] 10 /lib64/libc.so.6(_dl_catch_error+0x48) [0x7fff80e3ced8] 11 /lib64/libdl.so.2(+0x2360) [0x7fff809a2360] 12 /lib64/libdl.so.2(dlopen+0x5c) [0x7fff809a140c] 13 /usr/lib64/openmpi/lib/libopen-pal.so.40(+0x9e5c4) [0x7fff80a6e5c4] 14 /usr/lib64/openmpi/lib/libopen-pal.so.40(opal_dl_open+0x4c) [0x7fff80a6d7dc] 15 /usr/lib64/openmpi/lib/libopen-pal.so.40(mca_base_component_repository_open+0x35c) [0x7fff80a3418c] 16 /usr/lib64/openmpi/lib/libopen-pal.so.40(mca_base_component_find+0x680) [0x7fff80a31880] 17 /usr/lib64/openmpi/lib/libopen-pal.so.40(mca_base_framework_components_register+0x38) [0x7fff80a46a58] 18 /usr/lib64/openmpi/lib/libopen-pal.so.40(mca_base_framework_register+0x348) [0x7fff80a47168] 19 /usr/lib64/openmpi/lib/libopen-pal.so.40(mca_base_framework_open+0x30) [0x7fff80a47230] 20 /usr/lib64/openmpi/lib/libmpi.so.40(ompi_mpi_init+0x870) [0x7fff8125eb50] 21 /usr/lib64/openmpi/lib/libmpi.so.40(MPI_Init+0x8c) [0x7fff8129ff9c] 22 ./openmx() [0x10006450] 23 /lib64/libc.so.6(+0x24bf8) [0x7fff80cd4bf8] 24 /lib64/libc.so.6(__libc_start_main+0xb4) [0x7fff80cd4de4] =================== -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpiexec noticed that process rank 0 with PID 0 on node d9cfad8f66ec4233bf38b7b139001bee exited on signal 11 (Segmentation fault). -------------------------------------------------------------------------- ~/build/BUILD/openmx3.8 BUILDSTDERR: real 0m2.923s BUILDSTDERR: user 0m0.046s BUILDSTDERR: sys 0m0.047s + '[' -r runtest.result ']' + popd + module unload mpi/openmpi-ppc64le BUILDSTDERR: ++ /usr/share/lmod/lmod/libexec/lmod bash unload mpi/openmpi-ppc64le + eval unset '__LMOD_REF_COUNT_LD_LIBRARY_PATH;' unset 'LD_LIBRARY_PATH;' unset '__LMOD_REF_COUNT_LOADEDMODULES;' unset 'LOADEDMODULES;' '__LMOD_REF_COUNT_MANPATH=/usr/share/lmod/lmod/share/man:1;' export '__LMOD_REF_COUNT_MANPATH;' 'MANPATH=/usr/share/lmod/lmod/share/man;' export 'MANPATH;' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core;' export 'MODULEPATH;' unset 'MPI_BIN;' unset 'MPI_COMPILER;' unset 'MPI_FORTRAN_MOD_DIR;' unset 'MPI_HOME;' unset 'MPI_INCLUDE;' unset 'MPI_LIB;' unset 'MPI_MAN;' unset 'MPI_PYTHON2_SITEARCH;' unset 'MPI_PYTHON3_SITEARCH;' unset 'MPI_PYTHON_SITEARCH;' unset 'MPI_SUFFIX;' unset 'MPI_SYSCONFIG;' '__LMOD_REF_COUNT_PATH=/builddir/.local/bin:1\;/builddir/bin:1\;/usr/bin:1\;/bin:1\;/usr/sbin:1\;/sbin:1\;/usr/local/sbin:1;' export '__LMOD_REF_COUNT_PATH;' 'PATH=/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin;' export 'PATH;' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/pkgconfig:1\;/usr/share/pkgconfig:1;' export '__LMOD_REF_COUNT_PKG_CONFIG_PATH;' 'PKG_CONFIG_PATH=:/usr/lib64/pkgconfig:/usr/share/pkgconfig;' export 'PKG_CONFIG_PATH;' unset '__LMOD_REF_COUNT__LMFILES_;' unset '_LMFILES_;' '_ModuleTable001_=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;' export '_ModuleTable001_;' '_ModuleTable002_=cmUvbG1vZC9sbW9kL21vZHVsZWZpbGVzL0NvcmUiLH0=;' export '_ModuleTable002_;' '_ModuleTable_Sz_=2;' export '_ModuleTable_Sz_;' BUILDSTDERR: ++ unset __LMOD_REF_COUNT_LD_LIBRARY_PATH BUILDSTDERR: ++ unset LD_LIBRARY_PATH BUILDSTDERR: ++ unset __LMOD_REF_COUNT_LOADEDMODULES BUILDSTDERR: ++ unset LOADEDMODULES BUILDSTDERR: ++ __LMOD_REF_COUNT_MANPATH=/usr/share/lmod/lmod/share/man:1 BUILDSTDERR: ++ export __LMOD_REF_COUNT_MANPATH BUILDSTDERR: ++ MANPATH=/usr/share/lmod/lmod/share/man BUILDSTDERR: ++ export MANPATH BUILDSTDERR: ++ MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core BUILDSTDERR: ++ export MODULEPATH BUILDSTDERR: ++ unset MPI_BIN BUILDSTDERR: ++ unset MPI_COMPILER BUILDSTDERR: ++ unset MPI_FORTRAN_MOD_DIR BUILDSTDERR: ++ unset MPI_HOME BUILDSTDERR: ++ unset MPI_INCLUDE BUILDSTDERR: ++ unset MPI_LIB BUILDSTDERR: ++ unset MPI_MAN BUILDSTDERR: ++ unset MPI_PYTHON2_SITEARCH BUILDSTDERR: ++ unset MPI_PYTHON3_SITEARCH BUILDSTDERR: ++ unset MPI_PYTHON_SITEARCH BUILDSTDERR: ++ unset MPI_SUFFIX BUILDSTDERR: ++ unset MPI_SYSCONFIG BUILDSTDERR: ++ __LMOD_REF_COUNT_PATH='/builddir/.local/bin:1;/builddir/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PATH BUILDSTDERR: ++ PATH=/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin BUILDSTDERR: ++ export PATH BUILDSTDERR: ++ __LMOD_REF_COUNT_PKG_CONFIG_PATH='/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' BUILDSTDERR: ++ export __LMOD_REF_COUNT_PKG_CONFIG_PATH BUILDSTDERR: ++ PKG_CONFIG_PATH=:/usr/lib64/pkgconfig:/usr/share/pkgconfig BUILDSTDERR: ++ export PKG_CONFIG_PATH BUILDSTDERR: ++ unset __LMOD_REF_COUNT__LMFILES_ BUILDSTDERR: ++ unset _LMFILES_ BUILDSTDERR: ++ _ModuleTable001_=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 BUILDSTDERR: ++ export _ModuleTable001_ BUILDSTDERR: ++ _ModuleTable002_=cmUvbG1vZC9sbW9kL21vZHVsZWZpbGVzL0NvcmUiLH0= BUILDSTDERR: ++ export _ModuleTable002_ BUILDSTDERR: ++ _ModuleTable_Sz_=2 BUILDSTDERR: ++ export _ModuleTable_Sz_ BUILDSTDERR: ++ : -s sh + eval + exit 0 Processing files: openmx-openmpi-3.8.5-3.fc30.ppc64le Provides: openmx-openmpi = 3.8.5-3.fc30 openmx-openmpi(ppc-64) = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libfftw3.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libgomp.so.1(OMP_2.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libmpi.so.40()(64bit)(openmpi-ppc64le) libmpi_mpifh.so.40()(64bit)(openmpi-ppc64le) libmpi_usempif08.so.40()(64bit)(openmpi-ppc64le) libopenblas.so.0()(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.17)(64bit) rtld(GNU_HASH) Processing files: openmx-mpich-3.8.5-3.fc30.ppc64le Provides: openmx-mpich = 3.8.5-3.fc30 openmx-mpich(ppc-64) = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libfftw3.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libgomp.so.1(OMP_2.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libmpi.so.12()(64bit)(mpich-ppc64le) libmpifort.so.12()(64bit)(mpich-ppc64le) libopenblas.so.0()(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.17)(64bit) rtld(GNU_HASH) Processing files: openmx-data-3.8.5-3.fc30.noarch Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.jlgnR5 + umask 022 + cd /builddir/build/BUILD + cd openmx3.8 + LICENSEDIR=/builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-data + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-data + cp -pr COPYING /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-data + cp -pr LICENSE /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-data + exit 0 Provides: openmx-data = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: openmx-common-3.8.5-3.fc30.noarch Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.Nhnxuv + umask 022 + cd /builddir/build/BUILD + cd openmx3.8 + LICENSEDIR=/builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-common + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-common + cp -pr COPYING /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-common + cp -pr LICENSE /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le/usr/share/licenses/openmx-common + exit 0 Provides: openmx-common = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: openmx-debugsource-3.8.5-3.fc30.ppc64le Provides: openmx-debugsource = 3.8.5-3.fc30 openmx-debugsource(ppc-64) = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: openmx-debuginfo-3.8.5-3.fc30.ppc64le Provides: openmx-debuginfo = 3.8.5-3.fc30 openmx-debuginfo(ppc-64) = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: openmx-debugsource(ppc-64) = 3.8.5-3.fc30 Processing files: openmx-openmpi-debuginfo-3.8.5-3.fc30.ppc64le Provides: debuginfo(build-id) = 52f3fb6dd9a92bc84c3c481da52d2ff3ca0a2280 debuginfo(build-id) = 69f7cde325ba4ab2c649004419a6bea362bb6cd0 debuginfo(build-id) = 6eb50740c0551f64b6cd5904831307751f909a81 debuginfo(build-id) = 8951e6ea6bbd1f0243ca65e228f7eb236bfc35fe debuginfo(build-id) = 8c0270e51b3bb7558c397eca034bd548225aa5a1 debuginfo(build-id) = 9d872ee63c1262127dc75f896e2e339cb314db6f debuginfo(build-id) = c686664355e0d699b7c9ffff10c83de5f4856778 debuginfo(build-id) = e56da8c25a354e773002b6ff0809a3877409fa1e openmx-openmpi-debuginfo = 3.8.5-3.fc30 openmx-openmpi-debuginfo(ppc-64) = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: openmx-debugsource(ppc-64) = 3.8.5-3.fc30 Processing files: openmx-mpich-debuginfo-3.8.5-3.fc30.ppc64le Provides: debuginfo(build-id) = 01f6d611284461152c10978ad0555bc50f599a0c debuginfo(build-id) = 20b473f67eb370c352bb13dce4e3fe9b0f3ed353 debuginfo(build-id) = 568f0e78149f47effe0dbc3f12bc7e74a8959fb4 debuginfo(build-id) = 6f6fd63bee62d6b2584beca1867a5006c0d94c46 debuginfo(build-id) = 7f3adb7527d60c65f49417a9d434bd8fb4eb2fd1 debuginfo(build-id) = ae4597339b70e37c50092e0259690a24019b13ed debuginfo(build-id) = d30bf8d004a540848ccf58e5c4c7fc70de7eeb11 debuginfo(build-id) = debe01f53c023a4fd78ff9cd8753a25622547a93 openmx-mpich-debuginfo = 3.8.5-3.fc30 openmx-mpich-debuginfo(ppc-64) = 3.8.5-3.fc30 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: openmx-debugsource(ppc-64) = 3.8.5-3.fc30 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le Wrote: /builddir/build/RPMS/openmx-openmpi-3.8.5-3.fc30.ppc64le.rpm Wrote: /builddir/build/RPMS/openmx-mpich-3.8.5-3.fc30.ppc64le.rpm Wrote: /builddir/build/RPMS/openmx-data-3.8.5-3.fc30.noarch.rpm Wrote: /builddir/build/RPMS/openmx-common-3.8.5-3.fc30.noarch.rpm Wrote: /builddir/build/RPMS/openmx-debugsource-3.8.5-3.fc30.ppc64le.rpm Wrote: /builddir/build/RPMS/openmx-debuginfo-3.8.5-3.fc30.ppc64le.rpm Wrote: /builddir/build/RPMS/openmx-openmpi-debuginfo-3.8.5-3.fc30.ppc64le.rpm Wrote: /builddir/build/RPMS/openmx-mpich-debuginfo-3.8.5-3.fc30.ppc64le.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.avgjFp + umask 022 + cd /builddir/build/BUILD + cd openmx3.8 + /usr/bin/rm -rf /builddir/build/BUILDROOT/openmx-3.8.5-3.fc30.ppc64le + exit 0 Child return code was: 0